Sun Aug 11 02:34:23 UTC 2024 I: starting to build meep/trixie/armhf on jenkins on '2024-08-11 02:34' Sun Aug 11 02:34:23 UTC 2024 I: The jenkins build log is/was available at https://jenkins.debian.net/userContent/reproducible/debian/build_service/armhf_34/10612/console.log Sun Aug 11 02:34:23 UTC 2024 I: Downloading source for trixie/meep=1.25.0-4 --2024-08-11 02:34:23-- http://deb.debian.org/debian/pool/main/m/meep/meep_1.25.0-4.dsc Connecting to 46.16.76.132:3128... connected. Proxy request sent, awaiting response... 200 OK Length: 2471 (2.4K) [text/prs.lines.tag] Saving to: ‘meep_1.25.0-4.dsc’ 0K .. 100% 304M=0s 2024-08-11 02:34:23 (304 MB/s) - ‘meep_1.25.0-4.dsc’ saved [2471/2471] Sun Aug 11 02:34:23 UTC 2024 I: meep_1.25.0-4.dsc -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA512 Format: 3.0 (quilt) Source: meep Binary: meep, libmeep30, libmeep-dev, python3-meep Architecture: any Version: 1.25.0-4 Maintainer: Thorsten Alteholz Homepage: https://meep.readthedocs.io Standards-Version: 4.7.0 Vcs-Browser: https://salsa.debian.org/alteholz/meep Vcs-Git: https://salsa.debian.org/alteholz/meep.git Testsuite: autopkgtest-pkg-python Build-Depends: gfortran, debhelper-compat (= 13), quilt, libctl-dev (>= 4.5.0-8), pkg-config, libharminv-dev (>= 1.4.1), zlib1g-dev, libfftw3-dev, libgsl-dev, liblapack-dev, chrpath, libblas-dev, libhdf5-dev, swig, mpb-dev (>= 1.11.1-2), mpb, python3-dev, python3-numpy, python3-h5py, python3-scipy, python3-matplotlib, python3-setuptools, libgdsii-dev Package-List: libmeep-dev deb libdevel optional arch=any libmeep30 deb libs optional arch=any meep deb science optional arch=any python3-meep deb python optional arch=any Checksums-Sha1: 33657036ec39fb9b0c853ac3f0d6953ba348cccd 37873868 meep_1.25.0.orig.tar.gz 300a9845cbe054277ce44a22834fb5c34f76f757 143720 meep_1.25.0-4.debian.tar.xz Checksums-Sha256: 3e5d6c6ef69a8cc7810bdd6d681ae494bfe7a4e91041abe5494f5c8a82d02e6f 37873868 meep_1.25.0.orig.tar.gz 0e354fac28f6b8686a22da2b08576113e6169f4c8d7364d079edd9812f782830 143720 meep_1.25.0-4.debian.tar.xz Files: b37b924379d3a16a2632f7b3f6bdf79b 37873868 meep_1.25.0.orig.tar.gz 2309f78b5aba851014a0341e6946cd31 143720 meep_1.25.0-4.debian.tar.xz -----BEGIN PGP SIGNATURE----- iQKnBAEBCgCRFiEEYgH7/9u94Hgi6ruWlvysDTh7WEcFAmamLJFfFIAAAAAALgAo aXNzdWVyLWZwckBub3RhdGlvbnMub3BlbnBncC5maWZ0aGhvcnNlbWFuLm5ldDYy MDFGQkZGREJCREUwNzgyMkVBQkI5Njk2RkNBQzBEMzg3QjU4NDcTHGRlYmlhbkBh bHRlaG9sei5kZQAKCRCW/KwNOHtYR+UREAC++6IedYeCLwDgfCNM1heKxM18oVWf wJI5ujQ+Y1aLKD9/Bfs6MNMoIQUXLhmdoW4EQ9ZVV0NPnItQUVqjPOFmP1dUVUZR LzgFD1VyeUIh+5qZem2YeG2x0uTI+eyIe9mDDGHLW+T8cfb6PF4DvwuM+WQzc2Jn 1aASyI7pwEDkLMVYbfJGXVFgENHWmXqs5MdRTnt1nzzSFjwHTxANf13ulSDVh1OQ n0qkZ2lZQ/+8tpfbHYDDeGzX9I7KmHJs1qteEQPeWCO4rLDRW9LltA9BDENrvexc Al8IrX+IHwGI/6QZLBkFwTHX2JgTosQHwgLWwynjg8yEP/qP7D5z6OlrnxTowAAs X04YXi0PDpipSNxoe3YrskB9Y2gQfup3xF6yhqXy3BRB8GrmWvIlKhi7DKblfPBb j8La+Vl8rami9QiX7A2e5+Dr3iB0TNXubHjO2ktJaerulmnbxeZ6VH3iVpgZXzVk yfqSmmMkQq28ku3V3QXqz6CfISrLQpRcwYpBqn3KMfdKEN0s/52s/qFnlSKoRNy5 kFgaD8ivMjEJgptFWb/gOBOAiqlUhPuEG8n5NwOGWTch2mFmkqk1GwWwFcRtr9tF +tg5KlM1YuGoA38Ydm2Nt1lVVkXfLJTMllKDr/LKa8T8vrtrm4DYJtuuPTJJQUEW gav5ugq2NMvulw== =NZoP -----END PGP SIGNATURE----- Sun Aug 11 02:34:23 UTC 2024 I: Checking whether the package is not for us Sun Aug 11 02:34:23 UTC 2024 I: Starting 1st build on remote node virt32z-armhf-rb.debian.net. Sun Aug 11 02:34:23 UTC 2024 I: Preparing to do remote build '1' on virt32z-armhf-rb.debian.net. Sun Aug 11 03:55:49 UTC 2024 I: Deleting $TMPDIR on virt32z-armhf-rb.debian.net. I: pbuilder: network access will be disabled during build I: Current time: Sat Aug 10 14:34:36 -12 2024 I: pbuilder-time-stamp: 1723343676 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: Copying source file I: copying [meep_1.25.0-4.dsc] I: copying [./meep_1.25.0.orig.tar.gz] I: copying [./meep_1.25.0-4.debian.tar.xz] I: Extracting source gpgv: Signature made Sun Jul 28 11:33:37 2024 gpgv: using RSA key 6201FBFFDBBDE07822EABB9696FCAC0D387B5847 gpgv: issuer "debian@alteholz.de" gpgv: Can't check signature: No public key dpkg-source: warning: cannot verify inline signature for ./meep_1.25.0-4.dsc: no acceptable signature found dpkg-source: info: extracting meep in meep-1.25.0 dpkg-source: info: unpacking meep_1.25.0.orig.tar.gz dpkg-source: info: unpacking meep_1.25.0-4.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying python-distutils.patch dpkg-source: info: applying i386-fix.patch I: Not using root during the build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/14105/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build/reproducible-path' BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' BUILDUSERNAME='pbuilder1' BUILD_ARCH='armhf' DEBIAN_FRONTEND='noninteractive' DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=3 ' DISTRIBUTION='trixie' HOME='/root' HOST_ARCH='armhf' IFS=' ' INVOCATION_ID='65e76794b66f4e038af48aa9da831467' LANG='C' LANGUAGE='en_US:en' LC_ALL='C' MAIL='/var/mail/root' OPTIND='1' PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' PBCURRENTCOMMANDLINEOPERATION='build' PBUILDER_OPERATION='build' PBUILDER_PKGDATADIR='/usr/share/pbuilder' PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' PBUILDER_SYSCONFDIR='/etc' PPID='14105' PS1='# ' PS2='> ' PS4='+ ' PWD='/' SHELL='/bin/bash' SHLVL='2' SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.cnu8uHGC/pbuilderrc_olKm --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.cnu8uHGC/b1 --logfile b1/build.log meep_1.25.0-4.dsc' SUDO_GID='110' SUDO_UID='103' SUDO_USER='jenkins' TERM='unknown' TZ='/usr/share/zoneinfo/Etc/GMT+12' USER='root' _='/usr/bin/systemd-run' http_proxy='http://10.0.0.15:3142/' I: uname -a Linux virt32z 6.1.0-23-armmp-lpae #1 SMP Debian 6.1.99-1 (2024-07-15) armv7l GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Aug 4 21:30 /bin -> usr/bin I: user script /srv/workspace/pbuilder/14105/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: armhf Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: gfortran, debhelper-compat (= 13), quilt, libctl-dev (>= 4.5.0-8), pkg-config, libharminv-dev (>= 1.4.1), zlib1g-dev, libfftw3-dev, libgsl-dev, liblapack-dev, chrpath, libblas-dev, libhdf5-dev, swig, mpb-dev (>= 1.11.1-2), mpb, python3-dev, python3-numpy, python3-h5py, python3-scipy, python3-matplotlib, python3-setuptools, libgdsii-dev dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19503 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on gfortran; however: Package gfortran is not installed. pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on quilt; however: Package quilt is not installed. pbuilder-satisfydepends-dummy depends on libctl-dev (>= 4.5.0-8); however: Package libctl-dev is not installed. pbuilder-satisfydepends-dummy depends on pkg-config; however: Package pkg-config is not installed. pbuilder-satisfydepends-dummy depends on libharminv-dev (>= 1.4.1); however: Package libharminv-dev is not installed. pbuilder-satisfydepends-dummy depends on zlib1g-dev; however: Package zlib1g-dev is not installed. pbuilder-satisfydepends-dummy depends on libfftw3-dev; however: Package libfftw3-dev is not installed. pbuilder-satisfydepends-dummy depends on libgsl-dev; however: Package libgsl-dev is not installed. pbuilder-satisfydepends-dummy depends on liblapack-dev; however: Package liblapack-dev is not installed. pbuilder-satisfydepends-dummy depends on chrpath; however: Package chrpath is not installed. pbuilder-satisfydepends-dummy depends on libblas-dev; however: Package libblas-dev is not installed. pbuilder-satisfydepends-dummy depends on libhdf5-dev; however: Package libhdf5-dev is not installed. pbuilder-satisfydepends-dummy depends on swig; however: Package swig is not installed. pbuilder-satisfydepends-dummy depends on mpb-dev (>= 1.11.1-2); however: Package mpb-dev is not installed. pbuilder-satisfydepends-dummy depends on mpb; however: Package mpb is not installed. pbuilder-satisfydepends-dummy depends on python3-dev; however: Package python3-dev is not installed. pbuilder-satisfydepends-dummy depends on python3-numpy; however: Package python3-numpy is not installed. pbuilder-satisfydepends-dummy depends on python3-h5py; however: Package python3-h5py is not installed. pbuilder-satisfydepends-dummy depends on python3-scipy; however: Package python3-scipy is not installed. pbuilder-satisfydepends-dummy depends on python3-matplotlib; however: Package python3-matplotlib is not installed. pbuilder-satisfydepends-dummy depends on python3-setuptools; however: Package python3-setuptools is not installed. pbuilder-satisfydepends-dummy depends on libgdsii-dev; however: Package libgdsii-dev is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: autoconf{a} automake{a} autopoint{a} autotools-dev{a} blt{a} bsdextrautils{a} chrpath{a} debhelper{a} dh-autoreconf{a} dh-strip-nondeterminism{a} diffstat{a} dwz{a} ed{a} file{a} fontconfig-config{a} fonts-dejavu-core{a} fonts-dejavu-mono{a} fonts-lyx{a} gettext{a} gettext-base{a} gfortran{a} gfortran-13{a} gfortran-13-arm-linux-gnueabihf{a} gfortran-arm-linux-gnueabihf{a} groff-base{a} guile-3.0{a} guile-3.0-dev{a} guile-3.0-libs{a} hdf5-helpers{a} intltool-debian{a} libaec-dev{a} libaec0{a} libarchive-zip-perl{a} libblas-dev{a} libblas3{a} libbrotli1{a} libcom-err2{a} libctl-dev{a} libctl7t64{a} libcurl4-openssl-dev{a} libcurl4t64{a} libdebhelper-perl{a} libdeflate0{a} libelf1t64{a} libexpat1{a} libexpat1-dev{a} libfftw3-bin{a} libfftw3-dev{a} libfftw3-double3{a} libfftw3-single3{a} libfile-stripnondeterminism-perl{a} libfontconfig1{a} libfreetype6{a} libfribidi0{a} libgc-dev{a} libgc1{a} libgdsii-dev{a} libgdsii0{a} libgfortran-13-dev{a} libgfortran5{a} libglib2.0-0t64{a} libgmp-dev{a} libgmpxx4ldbl{a} libgraphite2-3{a} libgsl-dev{a} libgsl28{a} libgslcblas0{a} libgssapi-krb5-2{a} libharfbuzz0b{a} libharminv-dev{a} libharminv3{a} libhdf5-103-1t64{a} libhdf5-cpp-103-1t64{a} libhdf5-dev{a} libhdf5-fortran-102t64{a} libhdf5-hl-100t64{a} libhdf5-hl-cpp-100t64{a} libhdf5-hl-fortran-100t64{a} libhdf5-mpich-103-1t64{a} libhwloc15{a} libicu72{a} libimagequant0{a} libjbig0{a} libjpeg-dev{a} libjpeg62-turbo{a} libjpeg62-turbo-dev{a} libjs-jquery{a} libjs-jquery-ui{a} libjs-sphinxdoc{a} libjs-underscore{a} libk5crypto3{a} libkeyutils1{a} libkrb5-3{a} libkrb5support0{a} liblapack-dev{a} liblapack3{a} liblbfgsb0{a} liblcms2-2{a} libldap-2.5-0{a} liblerc4{a} libltdl-dev{a} libltdl7{a} liblzf1{a} libmagic-mgc{a} libmagic1t64{a} libmpich12{a} libncurses-dev{a} libncurses6{a} libnghttp2-14{a} libopenjp2-7{a} libpipeline1{a} libpkgconf3{a} libpng16-16t64{a} libpsl5t64{a} libpython3-dev{a} libpython3-stdlib{a} libpython3.12-dev{a} libpython3.12-minimal{a} libpython3.12-stdlib{a} libpython3.12t64{a} libqhull-r8.0{a} libraqm0{a} libreadline-dev{a} libreadline8t64{a} librtmp1{a} libsasl2-2{a} libsasl2-modules-db{a} libsharpyuv0{a} libssh2-1t64{a} libssl-dev{a} libsz2{a} libtcl8.6{a} libtiff6{a} libtk8.6{a} libtool{a} libuchardet0{a} libwebp7{a} libwebpdemux2{a} libwebpmux3{a} libx11-6{a} libx11-data{a} libxau6{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxft2{a} libxml2{a} libxrender1{a} libxslt1.1{a} libxss1{a} m4{a} man-db{a} media-types{a} mpb{a} mpb-dev{a} mpb-scm{a} netbase{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} python-matplotlib-data{a} python3{a} python3-appdirs{a} python3-attr{a} python3-brotli{a} python3-contourpy{a} python3-cycler{a} python3-dateutil{a} python3-decorator{a} python3-dev{a} python3-fonttools{a} python3-fs{a} python3-h5py{a} python3-h5py-serial{a} python3-kiwisolver{a} python3-lxml{a} python3-lz4{a} python3-matplotlib{a} python3-minimal{a} python3-mpmath{a} python3-numpy{a} python3-packaging{a} python3-pil{a} python3-pil.imagetk{a} python3-pkg-resources{a} python3-pyparsing{a} python3-scipy{a} python3-setuptools{a} python3-six{a} python3-sympy{a} python3-tk{a} python3-tz{a} python3-ufolib2{a} python3-unicodedata2{a} python3.12{a} python3.12-dev{a} python3.12-minimal{a} quilt{a} readline-common{a} sensible-utils{a} swig{a} tk8.6-blt2.5{a} tzdata{a} unicode-data{a} x11-common{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: ca-certificates curl h5utils isympy-common javascript-common krb5-locales less libarchive-cpio-perl libctl-doc libglib2.0-data libgpm2 libhwloc-plugins libldap-common libmail-sendmail-perl libsasl2-modules lynx publicsuffix python3-bs4 python3-cssselect python3-html5lib python3-olefile shared-mime-info wget xdg-user-dirs 0 packages upgraded, 206 newly installed, 0 to remove and 0 not upgraded. Need to get 131 MB of archives. After unpacking 504 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian trixie/main armhf libpython3.12-minimal armhf 3.12.4-3 [798 kB] Get: 2 http://deb.debian.org/debian trixie/main armhf libexpat1 armhf 2.6.2-1 [83.5 kB] Get: 3 http://deb.debian.org/debian trixie/main armhf python3.12-minimal armhf 3.12.4-3 [1795 kB] Get: 4 http://deb.debian.org/debian trixie/main armhf python3-minimal armhf 3.12.4-1 [26.5 kB] Get: 5 http://deb.debian.org/debian trixie/main armhf media-types all 10.1.0 [26.9 kB] Get: 6 http://deb.debian.org/debian trixie/main armhf netbase all 6.4 [12.8 kB] Get: 7 http://deb.debian.org/debian trixie/main armhf tzdata all 2024a-4 [255 kB] Get: 8 http://deb.debian.org/debian trixie/main armhf readline-common all 8.2-4 [69.3 kB] Get: 9 http://deb.debian.org/debian trixie/main armhf libreadline8t64 armhf 8.2-4 [145 kB] Get: 10 http://deb.debian.org/debian trixie/main armhf libpython3.12-stdlib armhf 3.12.4-3 [1812 kB] Get: 11 http://deb.debian.org/debian trixie/main armhf python3.12 armhf 3.12.4-3 [664 kB] Get: 12 http://deb.debian.org/debian trixie/main armhf libpython3-stdlib armhf 3.12.4-1 [9500 B] Get: 13 http://deb.debian.org/debian trixie/main armhf python3 armhf 3.12.4-1 [27.6 kB] Get: 14 http://deb.debian.org/debian trixie/main armhf sensible-utils all 0.0.24 [24.8 kB] Get: 15 http://deb.debian.org/debian trixie/main armhf libmagic-mgc armhf 1:5.45-3 [314 kB] Get: 16 http://deb.debian.org/debian trixie/main armhf libmagic1t64 armhf 1:5.45-3 [98.1 kB] Get: 17 http://deb.debian.org/debian trixie/main armhf file armhf 1:5.45-3 [42.0 kB] Get: 18 http://deb.debian.org/debian trixie/main armhf gettext-base armhf 0.22.5-2 [195 kB] Get: 19 http://deb.debian.org/debian trixie/main armhf libuchardet0 armhf 0.0.8-1+b1 [65.7 kB] Get: 20 http://deb.debian.org/debian trixie/main armhf groff-base armhf 1.23.0-5 [1091 kB] Get: 21 http://deb.debian.org/debian trixie/main armhf bsdextrautils armhf 2.40.2-1 [87.8 kB] Get: 22 http://deb.debian.org/debian trixie/main armhf libpipeline1 armhf 1.5.7-2 [33.3 kB] Get: 23 http://deb.debian.org/debian trixie/main armhf man-db armhf 2.12.1-2 [1376 kB] Get: 24 http://deb.debian.org/debian trixie/main armhf m4 armhf 1.4.19-4 [264 kB] Get: 25 http://deb.debian.org/debian trixie/main armhf autoconf all 2.71-3 [332 kB] Get: 26 http://deb.debian.org/debian trixie/main armhf autotools-dev all 20220109.1 [51.6 kB] Get: 27 http://deb.debian.org/debian trixie/main armhf automake all 1:1.16.5-1.3 [823 kB] Get: 28 http://deb.debian.org/debian trixie/main armhf autopoint all 0.22.5-2 [723 kB] Get: 29 http://deb.debian.org/debian trixie/main armhf libtcl8.6 armhf 8.6.14+dfsg-1 [928 kB] Get: 30 http://deb.debian.org/debian trixie/main armhf libbrotli1 armhf 1.1.0-2+b4 [293 kB] Get: 31 http://deb.debian.org/debian trixie/main armhf libpng16-16t64 armhf 1.6.43-5 [262 kB] Get: 32 http://deb.debian.org/debian trixie/main armhf libfreetype6 armhf 2.13.2+dfsg-1+b4 [372 kB] Get: 33 http://deb.debian.org/debian trixie/main armhf fonts-dejavu-mono all 2.37-8 [489 kB] Get: 34 http://deb.debian.org/debian trixie/main armhf fonts-dejavu-core all 2.37-8 [840 kB] Get: 35 http://deb.debian.org/debian trixie/main armhf fontconfig-config armhf 2.15.0-1.1 [317 kB] Get: 36 http://deb.debian.org/debian trixie/main armhf libfontconfig1 armhf 2.15.0-1.1 [370 kB] Get: 37 http://deb.debian.org/debian trixie/main armhf libxau6 armhf 1:1.0.9-1+b1 [17.4 kB] Get: 38 http://deb.debian.org/debian trixie/main armhf libxdmcp6 armhf 1:1.1.2-3+b1 [23.0 kB] Get: 39 http://deb.debian.org/debian trixie/main armhf libxcb1 armhf 1.17.0-2 [140 kB] Get: 40 http://deb.debian.org/debian trixie/main armhf libx11-data all 2:1.8.7-1 [328 kB] Get: 41 http://deb.debian.org/debian trixie/main armhf libx11-6 armhf 2:1.8.7-1+b1 [739 kB] Get: 42 http://deb.debian.org/debian trixie/main armhf libxrender1 armhf 1:0.9.10-1.1+b1 [24.9 kB] Get: 43 http://deb.debian.org/debian trixie/main armhf libxft2 armhf 2.3.6-1+b1 [46.4 kB] Get: 44 http://deb.debian.org/debian trixie/main armhf libxext6 armhf 2:1.3.4-1+b1 [47.8 kB] Get: 45 http://deb.debian.org/debian trixie/main armhf x11-common all 1:7.7+23.1 [216 kB] Get: 46 http://deb.debian.org/debian trixie/main armhf libxss1 armhf 1:1.2.3-1+b1 [16.4 kB] Get: 47 http://deb.debian.org/debian trixie/main armhf libtk8.6 armhf 8.6.14-1 [693 kB] Get: 48 http://deb.debian.org/debian trixie/main armhf tk8.6-blt2.5 armhf 2.5.3+dfsg-7 [481 kB] Get: 49 http://deb.debian.org/debian trixie/main armhf blt armhf 2.5.3+dfsg-7 [6024 B] Get: 50 http://deb.debian.org/debian trixie/main armhf chrpath armhf 0.16-2+b1 [15.9 kB] Get: 51 http://deb.debian.org/debian trixie/main armhf libdebhelper-perl all 13.16 [88.6 kB] Get: 52 http://deb.debian.org/debian trixie/main armhf libtool all 2.4.7-7 [517 kB] Get: 53 http://deb.debian.org/debian trixie/main armhf dh-autoreconf all 20 [17.1 kB] Get: 54 http://deb.debian.org/debian trixie/main armhf libarchive-zip-perl all 1.68-1 [104 kB] Get: 55 http://deb.debian.org/debian trixie/main armhf libfile-stripnondeterminism-perl all 1.14.0-1 [19.5 kB] Get: 56 http://deb.debian.org/debian trixie/main armhf dh-strip-nondeterminism all 1.14.0-1 [8448 B] Get: 57 http://deb.debian.org/debian trixie/main armhf libelf1t64 armhf 0.191-2 [183 kB] Get: 58 http://deb.debian.org/debian trixie/main armhf dwz armhf 0.15-1+b2 [106 kB] Get: 59 http://deb.debian.org/debian trixie/main armhf libicu72 armhf 72.1-5 [9075 kB] Get: 60 http://deb.debian.org/debian trixie/main armhf libxml2 armhf 2.9.14+dfsg-1.3+b3 [598 kB] Get: 61 http://deb.debian.org/debian trixie/main armhf gettext armhf 0.22.5-2 [1485 kB] Get: 62 http://deb.debian.org/debian trixie/main armhf intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 63 http://deb.debian.org/debian trixie/main armhf po-debconf all 1.0.21+nmu1 [248 kB] Get: 64 http://deb.debian.org/debian trixie/main armhf debhelper all 13.16 [891 kB] Get: 65 http://deb.debian.org/debian trixie/main armhf diffstat armhf 1.66-1 [32.0 kB] Get: 66 http://deb.debian.org/debian trixie/main armhf ed armhf 1.20.2-2 [56.6 kB] Get: 67 http://deb.debian.org/debian trixie/main armhf fonts-lyx all 2.4.1-2 [189 kB] Get: 68 http://deb.debian.org/debian trixie/main armhf libgfortran5 armhf 14.2.0-1 [262 kB] Get: 69 http://deb.debian.org/debian trixie/main armhf libgfortran-13-dev armhf 13.3.0-5 [306 kB] Get: 70 http://deb.debian.org/debian trixie/main armhf gfortran-13-arm-linux-gnueabihf armhf 13.3.0-5 [7852 kB] Get: 71 http://deb.debian.org/debian trixie/main armhf gfortran-13 armhf 13.3.0-5 [14.1 kB] Get: 72 http://deb.debian.org/debian trixie/main armhf gfortran-arm-linux-gnueabihf armhf 4:13.2.0-7 [1288 B] Get: 73 http://deb.debian.org/debian trixie/main armhf gfortran armhf 4:13.2.0-7 [1432 B] Get: 74 http://deb.debian.org/debian trixie/main armhf libgc1 armhf 1:8.2.6-2 [234 kB] Get: 75 http://deb.debian.org/debian trixie/main armhf guile-3.0-libs armhf 3.0.9-1+b2 [6357 kB] Get: 76 http://deb.debian.org/debian trixie/main armhf guile-3.0 armhf 3.0.9-1+b2 [21.0 kB] Get: 77 http://deb.debian.org/debian trixie/main armhf libncurses6 armhf 6.5-2 [81.8 kB] Get: 78 http://deb.debian.org/debian trixie/main armhf libncurses-dev armhf 6.5-2 [309 kB] Get: 79 http://deb.debian.org/debian trixie/main armhf libreadline-dev armhf 8.2-4 [137 kB] Get: 80 http://deb.debian.org/debian trixie/main armhf libltdl7 armhf 2.4.7-7+b1 [390 kB] Get: 81 http://deb.debian.org/debian trixie/main armhf libltdl-dev armhf 2.4.7-7+b1 [162 kB] Get: 82 http://deb.debian.org/debian trixie/main armhf libgmpxx4ldbl armhf 2:6.3.0+dfsg-2+b1 [328 kB] Get: 83 http://deb.debian.org/debian trixie/main armhf libgmp-dev armhf 2:6.3.0+dfsg-2+b1 [591 kB] Get: 84 http://deb.debian.org/debian trixie/main armhf libgc-dev armhf 1:8.2.6-2 [407 kB] Get: 85 http://deb.debian.org/debian trixie/main armhf libpkgconf3 armhf 1.8.1-3 [31.7 kB] Get: 86 http://deb.debian.org/debian trixie/main armhf pkgconf-bin armhf 1.8.1-3 [29.1 kB] Get: 87 http://deb.debian.org/debian trixie/main armhf pkgconf armhf 1.8.1-3 [26.1 kB] Get: 88 http://deb.debian.org/debian trixie/main armhf guile-3.0-dev armhf 3.0.9-1+b2 [149 kB] Get: 89 http://deb.debian.org/debian trixie/main armhf hdf5-helpers armhf 1.10.10+repack-4 [23.5 kB] Get: 90 http://deb.debian.org/debian trixie/main armhf libaec0 armhf 1.1.3-1 [21.5 kB] Get: 91 http://deb.debian.org/debian trixie/main armhf libsz2 armhf 1.1.3-1 [7724 B] Get: 92 http://deb.debian.org/debian trixie/main armhf libaec-dev armhf 1.1.3-1 [18.8 kB] Get: 93 http://deb.debian.org/debian trixie/main armhf libblas3 armhf 3.12.0-3 [108 kB] Get: 94 http://deb.debian.org/debian trixie/main armhf libblas-dev armhf 3.12.0-3 [119 kB] Get: 95 http://deb.debian.org/debian trixie/main armhf libcom-err2 armhf 1.47.1-1 [22.1 kB] Get: 96 http://deb.debian.org/debian trixie/main armhf libctl7t64 armhf 4.5.1-2.1 [98.1 kB] Get: 97 http://deb.debian.org/debian trixie/main armhf libctl-dev armhf 4.5.1-2.1 [92.6 kB] Get: 98 http://deb.debian.org/debian trixie/main armhf libkrb5support0 armhf 1.21.3-3 [30.0 kB] Get: 99 http://deb.debian.org/debian trixie/main armhf libk5crypto3 armhf 1.21.3-3 [75.8 kB] Get: 100 http://deb.debian.org/debian trixie/main armhf libkeyutils1 armhf 1.6.3-3 [7908 B] Get: 101 http://deb.debian.org/debian trixie/main armhf libkrb5-3 armhf 1.21.3-3 [283 kB] Get: 102 http://deb.debian.org/debian trixie/main armhf libgssapi-krb5-2 armhf 1.21.3-3 [114 kB] Get: 103 http://deb.debian.org/debian trixie/main armhf libsasl2-modules-db armhf 2.1.28+dfsg1-7 [18.1 kB] Get: 104 http://deb.debian.org/debian trixie/main armhf libsasl2-2 armhf 2.1.28+dfsg1-7 [50.2 kB] Get: 105 http://deb.debian.org/debian trixie/main armhf libldap-2.5-0 armhf 2.5.18+dfsg-2 [162 kB] Get: 106 http://deb.debian.org/debian trixie/main armhf libnghttp2-14 armhf 1.62.1-2 [63.7 kB] Get: 107 http://deb.debian.org/debian trixie/main armhf libpsl5t64 armhf 0.21.2-1.1 [55.6 kB] Get: 108 http://deb.debian.org/debian trixie/main armhf librtmp1 armhf 2.4+20151223.gitfa8646d.1-2+b4 [53.2 kB] Get: 109 http://deb.debian.org/debian trixie/main armhf libssh2-1t64 armhf 1.11.0-7 [199 kB] Get: 110 http://deb.debian.org/debian trixie/main armhf libcurl4t64 armhf 8.8.0-4 [399 kB] Get: 111 http://deb.debian.org/debian trixie/main armhf libcurl4-openssl-dev armhf 8.8.0-4 [516 kB] Get: 112 http://deb.debian.org/debian trixie/main armhf libdeflate0 armhf 1.20-1 [35.9 kB] Get: 113 http://deb.debian.org/debian trixie/main armhf libexpat1-dev armhf 2.6.2-1 [140 kB] Get: 114 http://deb.debian.org/debian trixie/main armhf libfftw3-double3 armhf 3.3.10-1+b3 [331 kB] Get: 115 http://deb.debian.org/debian trixie/main armhf libfftw3-single3 armhf 3.3.10-1+b3 [520 kB] Get: 116 http://deb.debian.org/debian trixie/main armhf libfftw3-bin armhf 3.3.10-1+b3 [42.0 kB] Get: 117 http://deb.debian.org/debian trixie/main armhf libfftw3-dev armhf 3.3.10-1+b3 [834 kB] Get: 118 http://deb.debian.org/debian trixie/main armhf libfribidi0 armhf 1.0.15-1 [70.0 kB] Get: 119 http://deb.debian.org/debian trixie/main armhf libgdsii0 armhf 0.2+ds.1-1+b1 [26.8 kB] Get: 120 http://deb.debian.org/debian trixie/main armhf libgdsii-dev armhf 0.2+ds.1-1+b1 [32.1 kB] Get: 121 http://deb.debian.org/debian trixie/main armhf libglib2.0-0t64 armhf 2.80.4-1 [1314 kB] Get: 122 http://deb.debian.org/debian trixie/main armhf libgraphite2-3 armhf 1.3.14-2 [63.2 kB] Get: 123 http://deb.debian.org/debian trixie/main armhf libgslcblas0 armhf 2.8+dfsg-3 [85.3 kB] Get: 124 http://deb.debian.org/debian trixie/main armhf libgsl28 armhf 2.8+dfsg-3 [812 kB] Get: 125 http://deb.debian.org/debian trixie/main armhf libgsl-dev armhf 2.8+dfsg-3 [1031 kB] Get: 126 http://deb.debian.org/debian trixie/main armhf libharfbuzz0b armhf 8.3.0-2+b1 [2156 kB] Get: 127 http://deb.debian.org/debian trixie/main armhf liblapack3 armhf 3.12.0-3 [1803 kB] Get: 128 http://deb.debian.org/debian trixie/main armhf libharminv3 armhf 1.4.2-1 [13.1 kB] Get: 129 http://deb.debian.org/debian trixie/main armhf libharminv-dev armhf 1.4.2-1 [12.4 kB] Get: 130 http://deb.debian.org/debian trixie/main armhf libhdf5-103-1t64 armhf 1.10.10+repack-4 [1196 kB] Get: 131 http://deb.debian.org/debian trixie/main armhf libhdf5-cpp-103-1t64 armhf 1.10.10+repack-4 [121 kB] Get: 132 http://deb.debian.org/debian trixie/main armhf libhdf5-fortran-102t64 armhf 1.10.10+repack-4 [78.5 kB] Get: 133 http://deb.debian.org/debian trixie/main armhf libhdf5-hl-100t64 armhf 1.10.10+repack-4 [62.3 kB] Get: 134 http://deb.debian.org/debian trixie/main armhf libhdf5-hl-fortran-100t64 armhf 1.10.10+repack-4 [35.1 kB] Get: 135 http://deb.debian.org/debian trixie/main armhf libhdf5-hl-cpp-100t64 armhf 1.10.10+repack-4 [21.0 kB] Get: 136 http://deb.debian.org/debian trixie/main armhf zlib1g-dev armhf 1:1.3.dfsg+really1.3.1-1 [904 kB] Get: 137 http://deb.debian.org/debian trixie/main armhf libjpeg62-turbo armhf 1:2.1.5-3 [143 kB] Get: 138 http://deb.debian.org/debian trixie/main armhf libjpeg62-turbo-dev armhf 1:2.1.5-3 [260 kB] Get: 139 http://deb.debian.org/debian trixie/main armhf libjpeg-dev armhf 1:2.1.5-3 [71.9 kB] Get: 140 http://deb.debian.org/debian trixie/main armhf libssl-dev armhf 3.2.2-1 [2351 kB] Get: 141 http://deb.debian.org/debian trixie/main armhf libhdf5-dev armhf 1.10.10+repack-4 [2616 kB] Get: 142 http://deb.debian.org/debian trixie/main armhf libhwloc15 armhf 2.11.0-2 [134 kB] Get: 143 http://deb.debian.org/debian trixie/main armhf libmpich12 armhf 4.2.0-9 [1484 kB] Get: 144 http://deb.debian.org/debian trixie/main armhf libhdf5-mpich-103-1t64 armhf 1.10.10+repack-4 [1251 kB] Get: 145 http://deb.debian.org/debian trixie/main armhf libimagequant0 armhf 2.18.0-1+b1 [30.7 kB] Get: 146 http://deb.debian.org/debian trixie/main armhf libjbig0 armhf 2.1-6.1+b1 [27.3 kB] Get: 147 http://deb.debian.org/debian trixie/main armhf libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 148 http://deb.debian.org/debian trixie/main armhf libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB] Get: 149 http://deb.debian.org/debian trixie/main armhf libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 150 http://deb.debian.org/debian trixie/main armhf libjs-sphinxdoc all 7.4.7-2 [158 kB] Get: 151 http://deb.debian.org/debian trixie/main armhf liblapack-dev armhf 3.12.0-3 [1903 kB] Get: 152 http://deb.debian.org/debian trixie/main armhf liblbfgsb0 armhf 3.0+dfsg.4-1+b1 [25.5 kB] Get: 153 http://deb.debian.org/debian trixie/main armhf liblcms2-2 armhf 2.14-2+b1 [126 kB] Get: 154 http://deb.debian.org/debian trixie/main armhf liblerc4 armhf 4.0.0+ds-4+b1 [137 kB] Get: 155 http://deb.debian.org/debian trixie/main armhf liblzf1 armhf 3.6-4+b1 [9476 B] Get: 156 http://deb.debian.org/debian trixie/main armhf libopenjp2-7 armhf 2.5.0-2+b3 [170 kB] Get: 157 http://deb.debian.org/debian trixie/main armhf libpython3.12t64 armhf 3.12.4-3 [1824 kB] Get: 158 http://deb.debian.org/debian trixie/main armhf libpython3.12-dev armhf 3.12.4-3 [3762 kB] Get: 159 http://deb.debian.org/debian trixie/main armhf libpython3-dev armhf 3.12.4-1 [9732 B] Get: 160 http://deb.debian.org/debian trixie/main armhf libqhull-r8.0 armhf 2020.2-6+b1 [219 kB] Get: 161 http://deb.debian.org/debian trixie/main armhf libraqm0 armhf 0.10.1-1+b1 [11.8 kB] Get: 162 http://deb.debian.org/debian trixie/main armhf libsharpyuv0 armhf 1.4.0-0.1 [111 kB] Get: 163 http://deb.debian.org/debian trixie/main armhf libwebp7 armhf 1.4.0-0.1 [265 kB] Get: 164 http://deb.debian.org/debian trixie/main armhf libtiff6 armhf 4.5.1+git230720-4 [301 kB] Get: 165 http://deb.debian.org/debian trixie/main armhf libwebpdemux2 armhf 1.4.0-0.1 [110 kB] Get: 166 http://deb.debian.org/debian trixie/main armhf libwebpmux3 armhf 1.4.0-0.1 [120 kB] Get: 167 http://deb.debian.org/debian trixie/main armhf libxslt1.1 armhf 1.1.35-1.1 [212 kB] Get: 168 http://deb.debian.org/debian trixie/main armhf mpb-scm all 1.11.1-6 [12.0 kB] Get: 169 http://deb.debian.org/debian trixie/main armhf mpb armhf 1.11.1-6 [178 kB] Get: 170 http://deb.debian.org/debian trixie/main armhf mpb-dev armhf 1.11.1-6 [8148 B] Get: 171 http://deb.debian.org/debian trixie/main armhf python-matplotlib-data all 3.6.3-2 [2744 kB] Get: 172 http://deb.debian.org/debian trixie/main armhf python3-appdirs all 1.4.4-4 [12.5 kB] Get: 173 http://deb.debian.org/debian trixie/main armhf python3-attr all 23.2.0-2 [65.5 kB] Get: 174 http://deb.debian.org/debian trixie/main armhf python3-brotli armhf 1.1.0-2+b4 [303 kB] Get: 175 http://deb.debian.org/debian trixie/main armhf python3-pkg-resources all 70.3.0-2 [264 kB] Get: 176 http://deb.debian.org/debian trixie/main armhf python3-numpy armhf 1:1.26.4+ds-11 [3340 kB] Get: 177 http://deb.debian.org/debian trixie/main armhf python3-contourpy armhf 1.2.1-1 [172 kB] Get: 178 http://deb.debian.org/debian trixie/main armhf python3-cycler all 0.12.1-1 [9496 B] Get: 179 http://deb.debian.org/debian trixie/main armhf python3-six all 1.16.0-7 [16.4 kB] Get: 180 http://deb.debian.org/debian trixie/main armhf python3-dateutil all 2.9.0-2 [79.4 kB] Get: 181 http://deb.debian.org/debian trixie/main armhf python3-decorator all 5.1.1-5 [15.1 kB] Get: 182 http://deb.debian.org/debian trixie/main armhf python3.12-dev armhf 3.12.4-3 [499 kB] Get: 183 http://deb.debian.org/debian trixie/main armhf python3-dev armhf 3.12.4-1 [26.2 kB] Get: 184 http://deb.debian.org/debian trixie/main armhf python3-scipy armhf 1.12.0-2+b1 [14.9 MB] Get: 185 http://deb.debian.org/debian trixie/main armhf python3-ufolib2 all 0.16.0+dfsg1-1 [32.9 kB] Get: 186 http://deb.debian.org/debian trixie/main armhf python3-mpmath all 1.3.0-1 [419 kB] Get: 187 http://deb.debian.org/debian trixie/main armhf python3-sympy all 1.12.1-1 [3869 kB] Get: 188 http://deb.debian.org/debian trixie/main armhf python3-tz all 2024.1-2 [30.9 kB] Get: 189 http://deb.debian.org/debian trixie/main armhf python3-fs all 2.4.16-4 [95.4 kB] Get: 190 http://deb.debian.org/debian trixie/main armhf python3-lxml armhf 5.2.2-1 [1099 kB] Get: 191 http://deb.debian.org/debian trixie/main armhf python3-lz4 armhf 4.0.2+dfsg-1+b4 [23.4 kB] Get: 192 http://deb.debian.org/debian trixie/main armhf python3-unicodedata2 armhf 15.1.0+ds-1+b2 [296 kB] Get: 193 http://deb.debian.org/debian trixie/main armhf unicode-data all 15.1.0-1 [8547 kB] Get: 194 http://deb.debian.org/debian trixie/main armhf python3-fonttools armhf 4.46.0-1+b1 [1336 kB] Get: 195 http://deb.debian.org/debian trixie/main armhf python3-h5py-serial armhf 3.11.0-5 [900 kB] Get: 196 http://deb.debian.org/debian trixie/main armhf python3-h5py all 3.11.0-5 [14.7 kB] Get: 197 http://deb.debian.org/debian trixie/main armhf python3-kiwisolver armhf 1.4.5-1+b1 [52.9 kB] Get: 198 http://deb.debian.org/debian trixie/main armhf python3-pil armhf 10.4.0-1 [465 kB] Get: 199 http://deb.debian.org/debian trixie/main armhf python3-tk armhf 3.12.4-2 [105 kB] Get: 200 http://deb.debian.org/debian trixie/main armhf python3-pil.imagetk armhf 10.4.0-1 [78.8 kB] Get: 201 http://deb.debian.org/debian trixie/main armhf python3-pyparsing all 3.1.2-1 [146 kB] Get: 202 http://deb.debian.org/debian trixie/main armhf python3-packaging all 24.1-1 [45.8 kB] Get: 203 http://deb.debian.org/debian trixie/main armhf python3-matplotlib armhf 3.6.3-2+b1 [6805 kB] Get: 204 http://deb.debian.org/debian trixie/main armhf python3-setuptools all 70.3.0-2 [504 kB] Get: 205 http://deb.debian.org/debian trixie/main armhf quilt all 0.68-1 [437 kB] Get: 206 http://deb.debian.org/debian trixie/main armhf swig armhf 4.2.1-1 [1375 kB] Fetched 131 MB in 3s (50.2 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.12-minimal:armhf. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19503 files and directories currently installed.) Preparing to unpack .../libpython3.12-minimal_3.12.4-3_armhf.deb ... Unpacking libpython3.12-minimal:armhf (3.12.4-3) ... Selecting previously unselected package libexpat1:armhf. Preparing to unpack .../libexpat1_2.6.2-1_armhf.deb ... Unpacking libexpat1:armhf (2.6.2-1) ... Selecting previously unselected package python3.12-minimal. Preparing to unpack .../python3.12-minimal_3.12.4-3_armhf.deb ... Unpacking python3.12-minimal (3.12.4-3) ... Setting up libpython3.12-minimal:armhf (3.12.4-3) ... Setting up libexpat1:armhf (2.6.2-1) ... Setting up python3.12-minimal (3.12.4-3) ... Selecting previously unselected package python3-minimal. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19823 files and directories currently installed.) Preparing to unpack .../0-python3-minimal_3.12.4-1_armhf.deb ... Unpacking python3-minimal (3.12.4-1) ... Selecting previously unselected package media-types. Preparing to unpack .../1-media-types_10.1.0_all.deb ... Unpacking media-types (10.1.0) ... Selecting previously unselected package netbase. Preparing to unpack .../2-netbase_6.4_all.deb ... Unpacking netbase (6.4) ... Selecting previously unselected package tzdata. Preparing to unpack .../3-tzdata_2024a-4_all.deb ... Unpacking tzdata (2024a-4) ... Selecting previously unselected package readline-common. Preparing to unpack .../4-readline-common_8.2-4_all.deb ... Unpacking readline-common (8.2-4) ... Selecting previously unselected package libreadline8t64:armhf. Preparing to unpack .../5-libreadline8t64_8.2-4_armhf.deb ... Adding 'diversion of /lib/arm-linux-gnueabihf/libhistory.so.8 to /lib/arm-linux-gnueabihf/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/arm-linux-gnueabihf/libhistory.so.8.2 to /lib/arm-linux-gnueabihf/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/arm-linux-gnueabihf/libreadline.so.8 to /lib/arm-linux-gnueabihf/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/arm-linux-gnueabihf/libreadline.so.8.2 to /lib/arm-linux-gnueabihf/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:armhf (8.2-4) ... Selecting previously unselected package libpython3.12-stdlib:armhf. Preparing to unpack .../6-libpython3.12-stdlib_3.12.4-3_armhf.deb ... Unpacking libpython3.12-stdlib:armhf (3.12.4-3) ... Selecting previously unselected package python3.12. Preparing to unpack .../7-python3.12_3.12.4-3_armhf.deb ... Unpacking python3.12 (3.12.4-3) ... 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Setting up media-types (10.1.0) ... Setting up libpipeline1:armhf (1.5.7-2) ... Setting up libgraphite2-3:armhf (1.3.14-2) ... Setting up liblcms2-2:armhf (2.14-2+b1) ... Setting up libsharpyuv0:armhf (1.4.0-0.1) ... Setting up mpb-dev (1.11.1-6) ... Setting up libxau6:armhf (1:1.0.9-1+b1) ... Setting up libxdmcp6:armhf (1:1.1.2-3+b1) ... Setting up libkeyutils1:armhf (1.6.3-3) ... Setting up libxcb1:armhf (1.17.0-2) ... Setting up mpb-scm (1.11.1-6) ... Setting up libfftw3-single3:armhf (3.3.10-1+b3) ... Setting up swig (4.2.1-1) ... Setting up libicu72:armhf (72.1-5) ... Setting up liblerc4:armhf (4.0.0+ds-4+b1) ... Setting up bsdextrautils (2.40.2-1) ... Setting up hdf5-helpers (1.10.10+repack-4) ... Setting up libgslcblas0:armhf (2.8+dfsg-3) ... Setting up libmagic-mgc (1:5.45-3) ... Setting up libarchive-zip-perl (1.68-1) ... Setting up fonts-lyx (2.4.1-2) ... Setting up libdebhelper-perl (13.16) ... Setting up libbrotli1:armhf (1.1.0-2+b4) ... Setting up libmagic1t64:armhf (1:5.45-3) ... Setting up x11-common (1:7.7+23.1) ... invoke-rc.d: could not determine current runlevel Setting up X socket directories... /tmp/.X11-unix /tmp/.ICE-unix. Setting up libpsl5t64:armhf (0.21.2-1.1) ... Setting up libnghttp2-14:armhf (1.62.1-2) ... Setting up libdeflate0:armhf (1.20-1) ... Setting up gettext-base (0.22.5-2) ... Setting up m4 (1.4.19-4) ... Setting up libqhull-r8.0:armhf (2020.2-6+b1) ... Setting up libcom-err2:armhf (1.47.1-1) ... Setting up file (1:5.45-3) ... Setting up libjbig0:armhf (2.1-6.1+b1) ... Setting up libaec0:armhf (1.1.3-1) ... Setting up libelf1t64:armhf (0.191-2) ... Setting up libkrb5support0:armhf (1.21.3-3) ... Setting up libsasl2-modules-db:armhf (2.1.28+dfsg1-7) ... Setting up tzdata (2024a-4) ... Current default time zone: 'Etc/UTC' Local time is now: Sun Aug 11 02:35:35 UTC 2024. Universal Time is now: Sun Aug 11 02:35:35 UTC 2024. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.1.0-1) ... Setting up autotools-dev (20220109.1) ... Setting up libglib2.0-0t64:armhf (2.80.4-1) ... No schema files found: doing nothing. Setting up libblas3:armhf (3.12.0-3) ... update-alternatives: using /usr/lib/arm-linux-gnueabihf/blas/libblas.so.3 to provide /usr/lib/arm-linux-gnueabihf/libblas.so.3 (libblas.so.3-arm-linux-gnueabihf) in auto mode Setting up libpkgconf3:armhf (1.8.1-3) ... Setting up libgmpxx4ldbl:armhf (2:6.3.0+dfsg-2+b1) ... Setting up libexpat1-dev:armhf (2.6.2-1) ... Setting up libjpeg62-turbo:armhf (1:2.1.5-3) ... Setting up libx11-data (2:1.8.7-1) ... Setting up libjpeg62-turbo-dev:armhf (1:2.1.5-3) ... Setting up ed (1.20.2-2) ... Setting up librtmp1:armhf (2.4+20151223.gitfa8646d.1-2+b4) ... Setting up libncurses6:armhf (6.5-2) ... Setting up liblzf1:armhf (3.6-4+b1) ... Setting up libfribidi0:armhf (1.0.15-1) ... Setting up diffstat (1.66-1) ... Setting up libimagequant0:armhf (2.18.0-1+b1) ... Setting up fonts-dejavu-mono (2.37-8) ... Setting up libssl-dev:armhf (3.2.2-1) ... Setting up libpng16-16t64:armhf (1.6.43-5) ... Setting up libhwloc15:armhf (2.11.0-2) ... Setting up libtcl8.6:armhf (8.6.14+dfsg-1) ... Setting up autopoint (0.22.5-2) ... Setting up fonts-dejavu-core (2.37-8) ... Setting up pkgconf-bin (1.8.1-3) ... Setting up libk5crypto3:armhf (1.21.3-3) ... Setting up libgc1:armhf (1:8.2.6-2) ... Setting up libltdl7:armhf (2.4.7-7+b1) ... Setting up libfftw3-double3:armhf (3.3.10-1+b3) ... Setting up libsasl2-2:armhf (2.1.28+dfsg1-7) ... Setting up libgfortran5:armhf (14.2.0-1) ... Setting up autoconf (2.71-3) ... Setting up libwebp7:armhf (1.4.0-0.1) ... Setting up zlib1g-dev:armhf (1:1.3.dfsg+really1.3.1-1) ... Setting up dwz (0.15-1+b2) ... Setting up libmpich12:armhf (4.2.0-9) ... Setting up sensible-utils (0.0.24) ... Setting up libtiff6:armhf (4.5.1+git230720-4) ... Setting up libuchardet0:armhf (0.0.8-1+b1) ... Setting up libopenjp2-7:armhf (2.5.0-2+b3) ... Setting up libx11-6:armhf (2:1.8.7-1+b1) ... Setting up netbase (6.4) ... Setting up libkrb5-3:armhf (1.21.3-3) ... Setting up libssh2-1t64:armhf (1.11.0-7) ... Setting up libjs-jquery (3.6.1+dfsg+~3.5.14-1) ... Setting up libgsl28:armhf (2.8+dfsg-3) ... Setting up libgfortran-13-dev:armhf (13.3.0-5) ... Setting up python-matplotlib-data (3.6.3-2) ... Setting up libgc-dev:armhf (1:8.2.6-2) ... Setting up libwebpmux3:armhf (1.4.0-0.1) ... Setting up libgdsii0:armhf (0.2+ds.1-1+b1) ... Setting up readline-common (8.2-4) ... Setting up libxml2:armhf (2.9.14+dfsg-1.3+b3) ... Setting up chrpath (0.16-2+b1) ... Setting up libblas-dev:armhf (3.12.0-3) ... update-alternatives: using /usr/lib/arm-linux-gnueabihf/blas/libblas.so to provide /usr/lib/arm-linux-gnueabihf/libblas.so (libblas.so-arm-linux-gnueabihf) in auto mode Setting up libsz2:armhf (1.1.3-1) ... Setting up libjs-underscore (1.13.4~dfsg+~1.11.4-3) ... Setting up automake (1:1.16.5-1.3) ... update-alternatives: using /usr/bin/automake-1.16 to provide /usr/bin/automake (automake) in auto mode Setting up libfile-stripnondeterminism-perl (1.14.0-1) ... Setting up gfortran-13-arm-linux-gnueabihf (13.3.0-5) ... Setting up liblapack3:armhf (3.12.0-3) ... update-alternatives: using /usr/lib/arm-linux-gnueabihf/lapack/liblapack.so.3 to provide /usr/lib/arm-linux-gnueabihf/liblapack.so.3 (liblapack.so.3-arm-linux-gnueabihf) in auto mode Setting up libncurses-dev:armhf (6.5-2) ... Setting up gettext (0.22.5-2) ... Setting up libgsl-dev (2.8+dfsg-3) ... Setting up libgmp-dev:armhf (2:6.3.0+dfsg-2+b1) ... Setting up libxrender1:armhf (1:0.9.10-1.1+b1) ... Setting up libtool (2.4.7-7) ... Setting up libfftw3-bin (3.3.10-1+b3) ... Setting up fontconfig-config (2.15.0-1.1) ... Setting up libgdsii-dev:armhf (0.2+ds.1-1+b1) ... Setting up libwebpdemux2:armhf (1.4.0-0.1) ... Setting up libaec-dev:armhf (1.1.3-1) ... Setting up libjpeg-dev:armhf (1:2.1.5-3) ... Setting up libxext6:armhf (2:1.3.4-1+b1) ... Setting up quilt (0.68-1) ... Setting up libldap-2.5-0:armhf (2.5.18+dfsg-2) ... Setting up gfortran-arm-linux-gnueabihf (4:13.2.0-7) ... Setting up pkgconf:armhf (1.8.1-3) ... Setting up intltool-debian (0.35.0+20060710.6) ... Setting up dh-autoreconf (20) ... Setting up libltdl-dev:armhf (2.4.7-7+b1) ... Setting up libjs-jquery-ui (1.13.2+dfsg-1) ... Setting up libfreetype6:armhf (2.13.2+dfsg-1+b4) ... Setting up gfortran-13 (13.3.0-5) ... Setting up liblapack-dev:armhf (3.12.0-3) ... update-alternatives: using /usr/lib/arm-linux-gnueabihf/lapack/liblapack.so to provide /usr/lib/arm-linux-gnueabihf/liblapack.so (liblapack.so-arm-linux-gnueabihf) in auto mode Setting up libgssapi-krb5-2:armhf (1.21.3-3) ... Setting up libjs-sphinxdoc (7.4.7-2) ... Setting up libharminv3 (1.4.2-1) ... Setting up libreadline8t64:armhf (8.2-4) ... Setting up dh-strip-nondeterminism (1.14.0-1) ... Setting up groff-base (1.23.0-5) ... Setting up libxslt1.1:armhf (1.1.35-1.1) ... Setting up libharfbuzz0b:armhf (8.3.0-2+b1) ... Setting up libxss1:armhf (1:1.2.3-1+b1) ... Setting up libfontconfig1:armhf (2.15.0-1.1) ... Setting up libharminv-dev (1.4.2-1) ... Setting up libfftw3-dev:armhf (3.3.10-1+b3) ... Setting up liblbfgsb0:armhf (3.0+dfsg.4-1+b1) ... Setting up libxft2:armhf (2.3.6-1+b1) ... Setting up libpython3.12-stdlib:armhf (3.12.4-3) ... Setting up libcurl4t64:armhf (8.8.0-4) ... Setting up guile-3.0-libs:armhf (3.0.9-1+b2) ... Setting up po-debconf (1.0.21+nmu1) ... Setting up libtk8.6:armhf (8.6.14-1) ... Setting up python3.12 (3.12.4-3) ... Setting up libctl7t64:armhf (4.5.1-2.1) ... Setting up libreadline-dev:armhf (8.2-4) ... Setting up man-db (2.12.1-2) ... Not building database; man-db/auto-update is not 'true'. Setting up gfortran (4:13.2.0-7) ... update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode Setting up libpython3.12t64:armhf (3.12.4-3) ... Setting up libhdf5-mpich-103-1t64:armhf (1.10.10+repack-4) ... Setting up libcurl4-openssl-dev:armhf (8.8.0-4) ... Setting up libraqm0:armhf (0.10.1-1+b1) ... Setting up libhdf5-103-1t64:armhf (1.10.10+repack-4) ... Setting up guile-3.0 (3.0.9-1+b2) ... update-alternatives: using /usr/lib/arm-linux-gnueabihf/guile/3.0/bin/guile to provide /usr/bin/guile (guile) in auto mode Setting up libpython3-stdlib:armhf (3.12.4-1) ... Setting up libhdf5-hl-100t64:armhf (1.10.10+repack-4) ... Setting up tk8.6-blt2.5 (2.5.3+dfsg-7) ... Setting up blt (2.5.3+dfsg-7) ... Setting up libhdf5-cpp-103-1t64:armhf (1.10.10+repack-4) ... Setting up libhdf5-fortran-102t64:armhf (1.10.10+repack-4) ... Setting up debhelper (13.16) ... Setting up python3 (3.12.4-1) ... Setting up libpython3.12-dev:armhf (3.12.4-3) ... Setting up python3-tz (2024.1-2) ... Setting up python3-six (1.16.0-7) ... Setting up python3-pil:armhf (10.4.0-1) ... Setting up python3-decorator (5.1.1-5) ... Setting up mpb (1.11.1-6) ... Setting up python3-packaging (24.1-1) ... Setting up python3-pyparsing (3.1.2-1) ... Setting up python3-brotli (1.1.0-2+b4) ... Setting up python3-cycler (0.12.1-1) ... Setting up python3-kiwisolver (1.4.5-1+b1) ... Setting up python3.12-dev (3.12.4-3) ... Setting up python3-lxml:armhf (5.2.2-1) ... Setting up python3-dateutil (2.9.0-2) ... Setting up guile-3.0-dev (3.0.9-1+b2) ... update-alternatives: using /usr/bin/guile-config-3.0 to provide /usr/bin/guile-config (guile-config) in auto mode update-alternatives: using /usr/share/aclocal/guile-3.0.m4 to provide /usr/share/aclocal/guile.m4 (guile-autoconf-macros) in auto mode Setting up python3-mpmath (1.3.0-1) ... Setting up libhdf5-hl-cpp-100t64:armhf (1.10.10+repack-4) ... Setting up python3-appdirs (1.4.4-4) ... Setting up python3-pkg-resources (70.3.0-2) ... Setting up python3-sympy (1.12.1-1) ... Setting up python3-attr (23.2.0-2) ... Setting up libpython3-dev:armhf (3.12.4-1) ... Setting up python3-setuptools (70.3.0-2) ... Setting up python3-lz4 (4.0.2+dfsg-1+b4) ... Setting up python3-unicodedata2 (15.1.0+ds-1+b2) ... Setting up libhdf5-hl-fortran-100t64:armhf (1.10.10+repack-4) ... Setting up python3-tk:armhf (3.12.4-2) ... Setting up libctl-dev:armhf (4.5.1-2.1) ... Setting up python3-fs (2.4.16-4) ... Setting up python3-pil.imagetk:armhf (10.4.0-1) ... Setting up python3-dev (3.12.4-1) ... Setting up libhdf5-dev (1.10.10+repack-4) ... update-alternatives: using /usr/lib/arm-linux-gnueabihf/pkgconfig/hdf5-serial.pc to provide /usr/lib/arm-linux-gnueabihf/pkgconfig/hdf5.pc (hdf5.pc) in auto mode Setting up python3-numpy (1:1.26.4+ds-11) ... Setting up python3-contourpy (1.2.1-1) ... Setting up python3-scipy (1.12.0-2+b1) ... Setting up python3-h5py-serial (3.11.0-5) ... Setting up python3-h5py (3.11.0-5) ... Setting up python3-fonttools (4.46.0-1+b1) ... Setting up python3-ufolib2 (0.16.0+dfsg1-1) ... Setting up python3-matplotlib (3.6.3-2+b1) ... Processing triggers for libc-bin (2.39-6) ... Reading package lists... Building dependency tree... Reading state information... Reading extended state information... Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps I: Building the package I: Running cd /build/reproducible-path/meep-1.25.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../meep_1.25.0-4_source.changes dpkg-buildpackage: info: source package meep dpkg-buildpackage: info: source version 1.25.0-4 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Thorsten Alteholz dpkg-source --before-build . dpkg-buildpackage: info: host architecture armhf debian/rules clean dh clean --with autoreconf debian/rules override_dh_clean make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' # we do not need this anymore rm -f tests/latest_output dh_clean make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' debian/rules binary dh binary --with autoreconf dh_update_autotools_config dh_autoreconf libtoolize: putting auxiliary files in '.'. libtoolize: copying file './ltmain.sh' libtoolize: putting macros in AC_CONFIG_MACRO_DIRS, 'm4'. libtoolize: copying file 'm4/libtool.m4' libtoolize: copying file 'm4/ltoptions.m4' libtoolize: copying file 'm4/ltsugar.m4' libtoolize: copying file 'm4/ltversion.m4' libtoolize: copying file 'm4/lt~obsolete.m4' configure.ac:74: warning: The macro `AC_TRY_COMPILE' is obsolete. configure.ac:74: You should run autoupdate. ./lib/autoconf/general.m4:2847: AC_TRY_COMPILE is expanded from... m4/ax_mpi.m4:69: AX_MPI is expanded from... configure.ac:74: the top level configure.ac:64: installing './compile' configure.ac:109: installing './config.guess' configure.ac:109: installing './config.sub' configure.ac:12: installing './install-sh' configure.ac:12: installing './missing' libpympb/Makefile.am: installing './depcomp' python/Makefile.am:234: installing './py-compile' parallel-tests: installing './test-driver' debian/rules override_dh_auto_configure make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' # the latest patch is only needed on architectures without SSE or other special stuff if [ "armhf" = "i386" ] || \ [ "armhf" = "hurd-i386" ] ; then \ echo "all patches needed, do nothing here"; \ else \ echo "we don't need the last patch"; \ quilt pop; \ fi we don't need the last patch Removing patch debian/patches/i386-fix.patch Restoring src/mympi.cpp Now at patch debian/patches/python-distutils.patch F77=gfortran dh_auto_configure -- --host=arm-linux-gnueabihf --build=arm-linux-gnueabihf --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode ./configure --build=arm-linux-gnueabihf --prefix=/usr --includedir=\${prefix}/include --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --sysconfdir=/etc --localstatedir=/var --disable-option-checking --disable-silent-rules --libdir=\${prefix}/lib/arm-linux-gnueabihf --runstatedir=/run --disable-maintainer-mode --disable-dependency-tracking --host=arm-linux-gnueabihf --build=arm-linux-gnueabihf --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode checking for a BSD-compatible install... /usr/bin/install -c checking whether build environment is sane... yes checking for a race-free mkdir -p... /usr/bin/mkdir -p checking for gawk... no checking for mawk... mawk checking whether make sets $(MAKE)... yes checking whether make supports nested variables... yes checking whether make supports nested variables... (cached) yes checking whether to enable maintainer-specific portions of Makefiles... yes checking for arm-linux-gnueabihf-gcc... arm-linux-gnueabihf-gcc checking whether the C compiler works... yes checking for C compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether the compiler supports GNU C... yes checking whether arm-linux-gnueabihf-gcc accepts -g... yes checking for arm-linux-gnueabihf-gcc option to enable C11 features... none needed checking whether arm-linux-gnueabihf-gcc understands -c and -o together... yes checking whether make supports the include directive... yes (GNU style) checking dependency style of arm-linux-gnueabihf-gcc... none checking for arm-linux-gnueabihf-g++... arm-linux-gnueabihf-g++ checking whether the compiler supports GNU C++... yes checking whether arm-linux-gnueabihf-g++ accepts -g... yes checking for arm-linux-gnueabihf-g++ option to enable C++11 features... none needed checking dependency style of arm-linux-gnueabihf-g++... none checking whether arm-linux-gnueabihf-g++ supports C++11 features by default... yes checking build system type... arm-unknown-linux-gnueabihf checking host system type... arm-unknown-linux-gnueabihf checking for C++ compiler vendor... gnu checking how to print strings... printf checking for a sed that does not truncate output... /usr/bin/sed checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking for fgrep... /usr/bin/grep -F checking for ld used by arm-linux-gnueabihf-gcc... /usr/bin/ld checking if the linker (/usr/bin/ld) is GNU ld... yes checking for BSD- or MS-compatible name lister (nm)... /usr/bin/arm-linux-gnueabihf-nm -B checking the name lister (/usr/bin/arm-linux-gnueabihf-nm -B) interface... BSD nm checking whether ln -s works... yes checking the maximum length of command line arguments... 1572864 checking how to convert arm-unknown-linux-gnueabihf file names to arm-unknown-linux-gnueabihf format... func_convert_file_noop checking how to convert arm-unknown-linux-gnueabihf file names to toolchain format... func_convert_file_noop checking for /usr/bin/ld option to reload object files... -r checking for arm-linux-gnueabihf-file... no checking for file... file checking for arm-linux-gnueabihf-objdump... arm-linux-gnueabihf-objdump checking how to recognize dependent libraries... pass_all checking for arm-linux-gnueabihf-dlltool... no checking for dlltool... no checking how to associate runtime and link libraries... printf %s\n checking for arm-linux-gnueabihf-ar... arm-linux-gnueabihf-ar checking for archiver @FILE support... @ checking for arm-linux-gnueabihf-strip... arm-linux-gnueabihf-strip checking for arm-linux-gnueabihf-ranlib... arm-linux-gnueabihf-ranlib checking command to parse /usr/bin/arm-linux-gnueabihf-nm -B output from arm-linux-gnueabihf-gcc object... ok checking for sysroot... no checking for a working dd... /usr/bin/dd checking how to truncate binary pipes... /usr/bin/dd bs=4096 count=1 checking for arm-linux-gnueabihf-mt... no checking for mt... no checking if : is a manifest tool... no checking for stdio.h... yes checking for stdlib.h... yes checking for string.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for strings.h... yes checking for sys/stat.h... yes checking for sys/types.h... yes checking for unistd.h... yes checking for dlfcn.h... yes checking for objdir... .libs checking if arm-linux-gnueabihf-gcc supports -fno-rtti -fno-exceptions... no checking for arm-linux-gnueabihf-gcc option to produce PIC... -fPIC -DPIC checking if arm-linux-gnueabihf-gcc PIC flag -fPIC -DPIC works... yes checking if arm-linux-gnueabihf-gcc static flag -static works... yes checking if arm-linux-gnueabihf-gcc supports -c -o file.o... yes checking if arm-linux-gnueabihf-gcc supports -c -o file.o... (cached) yes checking whether the arm-linux-gnueabihf-gcc linker (/usr/bin/ld) supports shared libraries... yes checking whether -lc should be explicitly linked in... no checking dynamic linker characteristics... GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking whether stripping libraries is possible... yes checking if libtool supports shared libraries... yes checking whether to build shared libraries... yes checking whether to build static libraries... yes checking how to run the C++ preprocessor... arm-linux-gnueabihf-g++ -E checking for ld used by arm-linux-gnueabihf-g++... /usr/bin/ld checking if the linker (/usr/bin/ld) is GNU ld... yes checking whether the arm-linux-gnueabihf-g++ linker (/usr/bin/ld) supports shared libraries... yes checking for arm-linux-gnueabihf-g++ option to produce PIC... -fPIC -DPIC checking if arm-linux-gnueabihf-g++ PIC flag -fPIC -DPIC works... yes checking if arm-linux-gnueabihf-g++ static flag -static works... yes checking if arm-linux-gnueabihf-g++ supports -c -o file.o... yes checking if arm-linux-gnueabihf-g++ supports -c -o file.o... (cached) yes checking whether the arm-linux-gnueabihf-g++ linker (/usr/bin/ld) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking for sin in -lm... yes checking for fftw_plan_dft_1d in -lfftw3... yes checking for arm-linux-gnueabihf-g77... gfortran checking whether the compiler supports GNU Fortran 77... yes checking whether gfortran accepts -g... yes checking if libtool supports shared libraries... yes checking whether to build shared libraries... yes checking whether to build static libraries... yes checking for gfortran option to produce PIC... -fPIC checking if gfortran PIC flag -fPIC works... yes checking if gfortran static flag -static works... yes checking if gfortran supports -c -o file.o... yes checking if gfortran supports -c -o file.o... (cached) yes checking whether the gfortran linker (/usr/bin/ld) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking how to get verbose linking output from gfortran... -v checking for Fortran 77 libraries of gfortran... -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm checking for dummy main to link with Fortran 77 libraries... none checking for Fortran 77 name-mangling scheme... lower case, underscore, no extra underscore checking if sgemm_ is being linked in already... no checking for sgemm_ in -lopenblas... no checking for ATL_xerbla in -latlas... no checking for sgemm_ in -lblas... yes checking for dgemm_ in -ldgemm... no checking for sgemm_ in -lmkl... no checking for sgemm_ in -framework vecLib... no checking for sgemm_ in -lcxml... no checking for sgemm_ in -ldxml... no checking for sgemm_ in -lscs... no checking for sgemm_ in -lcomplib.sgimath... no checking for sgemm_ in -lblas... (cached) yes checking for sgemm_ in -lessl... no checking for sgemm_ in -lblas... (cached) yes checking for cheev_... no checking for cheev_ in -llapack... yes checking for pkg-config... /usr/bin/pkg-config checking for harminv >= 1.1... yes checking HARMINV_CFLAGS... checking HARMINV_LIBS... -lharminv checking for mpb.h... yes checking for maxwell_target_operator1 in -lmpb... yes checking for cos in -lm... yes checking for cblas_dgemm in -lgslcblas... yes checking for gsl_sf_bessel_Jn in -lgsl... yes checking for deflate in -lz... yes checking for H5Pcreate in -lhdf5... yes checking for H5Pcreate... yes checking for hdf5.h... yes checking for H5Pset_mpi... no checking for H5Pset_fapl_mpio... no checking for guile-config... guile-config checking if linking to guile works... yes checking for libguile.h... yes checking for guile/gh.h... no checking for scm_make_smob_type... yes checking for SCM_SMOB_PREDICATE... no checking for SCM_SMOB_DATA... no checking for SCM_NEWSMOB... no checking how to activate readline in Guile... ice-9 readline checking for libctl dir... /usr/share/libctl checking for gen-ctl-io... gen-ctl-io checking for ctl_get_vector3 in -lctl... yes checking for ctl.h... yes checking whether libctl version is at least 4.2.0... ok checking for libctl_quiet feature... yes checking for vector3_dot in -lctlgeom... yes checking for libGDSII.h... yes checking for libGDSIIExists in -lGDSII... yes checking for libGDSII::GetLayers... no checking for feenableexcept... yes checking whether feenableexcept declaration is usable... yes checking whether to catch and ignore SIGFPE signals... yes checking for sys/time.h... yes checking for immintrin.h... no checking for BSDgettimeofday... no checking for gettimeofday... yes checking for cblas_ddot... yes checking for cblas_daxpy... yes checking for jn... yes checking for C/C++ restrict keyword... no checking for swig... swig checking for python... no checking for python2... no checking for python3... /usr/bin/python3 checking for python version... 3.12 checking for python platform... linux checking for GNU default python prefix... ${prefix} checking for GNU default python exec_prefix... ${exec_prefix} checking for python script directory (pythondir)... ${PYTHON_PREFIX}/lib/python3.12/site-packages checking for python extension module directory (pyexecdir)... ${PYTHON_EXEC_PREFIX}/lib/python3.12/site-packages checking for Python include directory... /usr/include/python3.12 checking for Python.h... yes checking for Numpy include directory... /usr/lib/python3/dist-packages/numpy/core/include checking for numpy/arrayobject.h... yes checking that generated files are newer than configure... done configure: creating ./config.status config.status: creating scheme/Makefile config.status: creating scheme/meep.scm config.status: creating libpympb/Makefile config.status: creating python/Makefile config.status: creating Makefile config.status: creating meep-pkgconfig config.status: creating src/Makefile config.status: creating src/support/Makefile config.status: creating tests/Makefile config.status: creating src/meep/meep-config.h config.status: creating config.h config.status: executing depfiles commands config.status: executing libtool commands make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' dh_auto_build make -j3 make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' make all-recursive make[2]: Entering directory '/build/reproducible-path/meep-1.25.0' Making all in src make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make sphere_quad (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; sed 's/LOOP_OVER/S1LOOP_OVER/g' ../src/step_generic.cpp | sed 's/step_curl/step_curl_stride1/' | sed 's/step_update_EDHB/step_update_EDHB_stride1/' | sed 's/step_beta/step_beta_stride1/') > step_generic_stride1.cpp make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make[4]: warning: jobserver unavailable: using -j1. Add '+' to parent make rule. arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o sphere-quad.o sphere-quad.cpp /bin/bash ../libtool --tag=CXX --mode=link arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; ../src/sphere_quad) > sphere-quad.h make all-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' Making all in support make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src/support' /bin/bash ../../libtool --tag=CC --mode=compile arm-linux-gnueabihf-gcc -DHAVE_CONFIG_H -I. -I../.. -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -c -o mt19937ar.lo mt19937ar.c libtool: compile: arm-linux-gnueabihf-gcc -DHAVE_CONFIG_H -I. -I../.. -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -c mt19937ar.c -fPIC -DPIC -o .libs/mt19937ar.o libtool: compile: arm-linux-gnueabihf-gcc -DHAVE_CONFIG_H -I. -I../.. -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -c mt19937ar.c -fPIC -DPIC -o mt19937ar.o >/dev/null 2>&1 /bin/bash ../../libtool --tag=CC --mode=link arm-linux-gnueabihf-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o libsupport.la mt19937ar.lo -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: arm-linux-gnueabihf-ar cr .libs/libsupport.a .libs/mt19937ar.o libtool: link: arm-linux-gnueabihf-ranlib .libs/libsupport.a libtool: link: ( cd ".libs" && rm -f "libsupport.la" && ln -s "../libsupport.la" "libsupport.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src' /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o array_slice.lo array_slice.cpp /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o anisotropic_averaging.lo anisotropic_averaging.cpp /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o bands.lo bands.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o .libs/anisotropic_averaging.o libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c bands.cpp -fPIC -DPIC -o .libs/bands.o libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c array_slice.cpp -fPIC -DPIC -o .libs/array_slice.o libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c bands.cpp -fPIC -DPIC -o bands.o >/dev/null 2>&1 In file included from /usr/include/c++/13/vector:72, from meep_internals.hpp:18, from array_slice.cpp:28: /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 In member function 'std::vector<_Tp, _Alloc>::reference std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]', inlined from 'void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]' at /usr/include/c++/13/bits/stl_vector.h:1299:21, inlined from 'std::vector meep::fields::get_array_metadata(const meep::volume&)' at array_slice.cpp:820:19: /usr/include/c++/13/bits/vector.tcc:123:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::reference std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]', inlined from 'void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]' at /usr/include/c++/13/bits/stl_vector.h:1299:21, inlined from 'std::vector meep::fields::get_array_metadata(const meep::volume&)' at array_slice.cpp:822:21: /usr/include/c++/13/bits/vector.tcc:123:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from /usr/include/c++/13/vector:66: In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]', inlined from 'std::vector meep::fields::get_array_metadata(const meep::volume&)' at array_slice.cpp:825:19: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o boundaries.lo boundaries.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c boundaries.cpp -fPIC -DPIC -o .libs/boundaries.o libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c array_slice.cpp -fPIC -DPIC -o array_slice.o >/dev/null 2>&1 libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o anisotropic_averaging.o >/dev/null 2>&1 boundaries.cpp: In member function 'meep::ivec meep::fields::ilattice_vector(meep::direction) const': boundaries.cpp:120:7: warning: this statement may fall through [-Wimplicit-fallthrough=] 120 | switch (d) { | ^~~~~~ boundaries.cpp:128:5: note: here 128 | case D3: | ^~~~ In file included from /usr/include/c++/13/vector:72, from /usr/include/c++/13/functional:64, from meep.hpp:20, from boundaries.cpp:23: /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {std::complex}; _Tp = std::complex; _Alloc = std::allocator >]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In function 'std::vector<_Tp, _Alloc>::reference std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::complex}; _Tp = std::complex; _Alloc = std::allocator >]': /usr/include/c++/13/bits/vector.tcc:123:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o bicgstab.lo bicgstab.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c bicgstab.cpp -fPIC -DPIC -o .libs/bicgstab.o libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c bicgstab.cpp -fPIC -DPIC -o bicgstab.o >/dev/null 2>&1 libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c boundaries.cpp -fPIC -DPIC -o boundaries.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o casimir.lo casimir.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c casimir.cpp -fPIC -DPIC -o .libs/casimir.o /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o cw_fields.lo cw_fields.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c cw_fields.cpp -fPIC -DPIC -o .libs/cw_fields.o libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c casimir.cpp -fPIC -DPIC -o casimir.o >/dev/null 2>&1 libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c cw_fields.cpp -fPIC -DPIC -o cw_fields.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o dft.lo dft.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c dft.cpp -fPIC -DPIC -o .libs/dft.o dft.cpp:269: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 269 | PLOOP_OVER_IVECS(fc->gv, is, ie, idx) { | /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o dft_ldos.lo dft_ldos.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c dft_ldos.cpp -fPIC -DPIC -o .libs/dft_ldos.o dft.cpp: In member function 'std::complex meep::dft_chunk::process_dft_component(int, meep::direction*, meep::ivec, meep::ivec, int, meep::h5file*, meep::realnum*, int, std::complex*, void*, void*, int, bool, meep::fields*)': dft.cpp:912:34: warning: format '%lu' expects argument of type 'long unsigned int', but argument 3 has type 'std::vector::size_type' {aka 'unsigned int'} [-Wformat=] 912 | "array of size %lu", | ~~^ | | | long unsigned int | %u 913 | num_freq, omega.size()); | ~~~~~~~~~~~~ | | | std::vector::size_type {aka unsigned int} dft.cpp: In member function 'void meep::fields::output_dft_components(meep::dft_chunk**, int, meep::volume, const char*)': dft.cpp:1325:63: warning: format '%lu' expects argument of type 'long unsigned int', but argument 4 has type 'size_t' {aka 'unsigned int'} [-Wformat=] 1325 | if (!real_array) meep::abort("%s:%i:out of memory(%lu)", __FILE__, __LINE__, array_size); | ~~^ ~~~~~~~~~~ | | | | long unsigned int size_t {aka unsigned int} | %u /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o energy_and_flux.lo energy_and_flux.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c energy_and_flux.cpp -fPIC -DPIC -o .libs/energy_and_flux.o libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c dft_ldos.cpp -fPIC -DPIC -o dft_ldos.o >/dev/null 2>&1 libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c energy_and_flux.cpp -fPIC -DPIC -o energy_and_flux.o >/dev/null 2>&1 In file included from /usr/include/c++/13/vector:72, from /usr/include/c++/13/functional:64, from meep.hpp:20, from dft.cpp:24: /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const std::complex&}; _Tp = std::complex; _Alloc = std::allocator >]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o fields.lo fields.cpp In file included from /usr/include/c++/13/vector:66: In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'std::vector meep::dft_fields::fourier_sourcedata(const meep::volume&, meep::component, meep::fields&, const std::complex*)' at dft.cpp:1529:40: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'std::vector meep::dft_fields::fourier_sourcedata(const meep::volume&, meep::component, meep::fields&, const std::complex*)' at dft.cpp:1549:42: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c fields.cpp -fPIC -DPIC -o .libs/fields.o libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c dft.cpp -fPIC -DPIC -o dft.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o fields_dump.lo fields_dump.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c fields_dump.cpp -fPIC -DPIC -o .libs/fields_dump.o In file included from /usr/include/c++/13/vector:72, from /usr/include/c++/13/functional:64, from meep.hpp:20, from fields.cpp:25: /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const meep::grid_volume&}; _Tp = meep::grid_volume; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In file included from /usr/include/c++/13/vector:66: In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'void meep::split_into_tiles(grid_volume, std::vector*, size_t)' at fields.cpp:207:22: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'meep::fields_chunk::fields_chunk(meep::structure_chunk*, const char*, double, double, bool, int, int)' at fields.cpp:257:29: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c fields.cpp -fPIC -DPIC -o fields.o >/dev/null 2>&1 libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c fields_dump.cpp -fPIC -DPIC -o fields_dump.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o fix_boundary_sources.lo fix_boundary_sources.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c fix_boundary_sources.cpp -fPIC -DPIC -o .libs/fix_boundary_sources.o /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o loop_in_chunks.lo loop_in_chunks.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c loop_in_chunks.cpp -fPIC -DPIC -o .libs/loop_in_chunks.o /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o h5fields.lo h5fields.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c h5fields.cpp -fPIC -DPIC -o .libs/h5fields.o In file included from /usr/include/c++/13/vector:72, from meep_internals.hpp:18, from fix_boundary_sources.cpp:1: /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const meep::srcpt_info&}; _Tp = meep::srcpt_info; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In file included from /usr/include/c++/13/functional:67, from meep.hpp:20, from meep_internals.hpp:20: /usr/include/c++/13/bits/stl_algo.h: In function 'void std::__unguarded_linear_insert(_RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Val_comp_iter]': /usr/include/c++/13/bits/stl_algo.h:1792:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1792 | __unguarded_linear_insert(_RandomAccessIterator __last, | ^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/stl_algo.h: In function 'void std::__insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]': /usr/include/c++/13/bits/stl_algo.h:1812:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1812 | __insertion_sort(_RandomAccessIterator __first, | ^~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/stl_algo.h:1812:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 In file included from /usr/include/c++/13/bits/stl_algo.h:61: /usr/include/c++/13/bits/stl_heap.h: In function 'void std::__adjust_heap(_RandomAccessIterator, _Distance, _Distance, _Tp, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Distance = int; _Tp = meep::srcpt_info; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]': /usr/include/c++/13/bits/stl_heap.h:224:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 224 | __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex, | ^~~~~~~~~~~~~ /usr/include/c++/13/bits/stl_algo.h: In function 'void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]': /usr/include/c++/13/bits/stl_algo.h:1918:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1918 | __introsort_loop(_RandomAccessIterator __first, | ^~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/stl_algo.h:1918:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 /usr/include/c++/13/bits/stl_algo.h:1932:32: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1932 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from /usr/include/c++/13/vector:66: In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep::srcpt_info; _Alloc = std::allocator]', inlined from 'void meep::fields::fix_boundary_sources()' at fix_boundary_sources.cpp:72:46: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In function 'void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]', inlined from 'void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator >; _Compare = meep::srcpt_info_compare]' at /usr/include/c++/13/bits/stl_algo.h:4894:18, inlined from 'void meep::fields::fix_boundary_sources()' at fix_boundary_sources.cpp:86:12: /usr/include/c++/13/bits/stl_algo.h:1947:32: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1947 | std::__introsort_loop(__first, __last, | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 1948 | std::__lg(__last - __first) * 2, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 1949 | __comp); | ~~~~~~~ In function 'void std::__final_insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]', inlined from 'void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]' at /usr/include/c++/13/bits/stl_algo.h:1950:31, inlined from 'void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator >; _Compare = meep::srcpt_info_compare]' at /usr/include/c++/13/bits/stl_algo.h:4894:18, inlined from 'void meep::fields::fix_boundary_sources()' at fix_boundary_sources.cpp:86:12: /usr/include/c++/13/bits/stl_algo.h:1859:32: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1859 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/stl_algo.h:1864:30: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1864 | std::__insertion_sort(__first, __last, __comp); | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c fix_boundary_sources.cpp -fPIC -DPIC -o fix_boundary_sources.o >/dev/null 2>&1 libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c loop_in_chunks.cpp -fPIC -DPIC -o loop_in_chunks.o >/dev/null 2>&1 libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c h5fields.cpp -fPIC -DPIC -o h5fields.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o h5file.lo h5file.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c h5file.cpp -fPIC -DPIC -o .libs/h5file.o /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o initialize.lo initialize.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c initialize.cpp -fPIC -DPIC -o .libs/initialize.o /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o integrate.lo integrate.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c integrate.cpp -fPIC -DPIC -o .libs/integrate.o libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c h5file.cpp -fPIC -DPIC -o h5file.o >/dev/null 2>&1 libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c initialize.cpp -fPIC -DPIC -o initialize.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o integrate2.lo integrate2.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c integrate2.cpp -fPIC -DPIC -o .libs/integrate2.o libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c integrate.cpp -fPIC -DPIC -o integrate.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o material_data.lo material_data.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c material_data.cpp -fPIC -DPIC -o .libs/material_data.o /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o monitor.lo monitor.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c monitor.cpp -fPIC -DPIC -o .libs/monitor.o libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c integrate2.cpp -fPIC -DPIC -o integrate2.o >/dev/null 2>&1 libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c material_data.cpp -fPIC -DPIC -o material_data.o >/dev/null 2>&1 monitor.cpp: In member function 'std::complex meep::structure_chunk::get_chi1inv_at_pt(meep::component, meep::direction, int, double) const': monitor.cpp:327:19: warning: 'comp_list' may be used uninitialized [-Wmaybe-uninitialized] 327 | component cc = comp_list[com_it]; | ^~ monitor.cpp:274:15: note: 'comp_list' declared here 274 | component comp_list[3]; | ^~~~~~~~~ libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o mympi.lo mympi.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c mympi.cpp -fPIC -DPIC -o .libs/mympi.o /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o multilevel-atom.lo multilevel-atom.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o .libs/multilevel-atom.o mympi.cpp: In function 'meep::ivec meep::max_to_all(const ivec&)': mympi.cpp:408:7: warning: variable 'in' set but not used [-Wunused-but-set-variable] 408 | int in[5], out[5]; | ^~ mympi.cpp: In function 'void meep::abort(const char*, ...)': mympi.cpp:248:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __gnuc_va_list)' declared with attribute 'warn_unused_result' [-Wunused-result] 248 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ mympi.cpp: In function 'void meep::_do_master_printf(FILE*, meep_printf_callback_func, const char*, va_list)': mympi.cpp:692:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __gnuc_va_list)' declared with attribute 'warn_unused_result' [-Wunused-result] 692 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c mympi.cpp -fPIC -DPIC -o mympi.o >/dev/null 2>&1 multilevel-atom.cpp: In member function 'virtual void* meep::multilevel_susceptibility::new_internal_data(meep::realnum* (*)[2], const meep::grid_volume&) const': multilevel-atom.cpp:138:53: warning: format '%lu' expects argument of type 'long unsigned int', but argument 4 has type 'size_t' {aka 'unsigned int'} [-Wformat=] 138 | if (d == NULL) meep::abort("%s:%i:out of memory(%lu)", __FILE__, __LINE__, sz); | ~~^ ~~ | | | | long unsigned int size_t {aka unsigned int} | %u /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o near2far.lo near2far.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c near2far.cpp -fPIC -DPIC -o .libs/near2far.o libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o output_directory.lo output_directory.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c output_directory.cpp -fPIC -DPIC -o .libs/output_directory.o output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:115:35: warning: '-out' directive output may be truncated writing 4 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 115 | snprintf(outdirname, buflen, "%s-out", basename); | ^~~~ In file included from /usr/include/stdio.h:980, from output_directory.cpp:18: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:115:11: /usr/include/arm-linux-gnueabihf/bits/stdio2.h:54:35: note: '__builtin___snprintf_chk' output between 5 and 304 bytes into a destination of size 300 54 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 55 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 56 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:124:36: warning: '%s' directive output may be truncated writing up to 299 bytes into a region of size between 0 and 299 [-Wformat-truncation=] 124 | snprintf(outsrcname, buflen, "%s/%s", outdirname, sourcename); | ^~ ~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:124:11: /usr/include/arm-linux-gnueabihf/bits/stdio2.h:54:35: note: '__builtin___snprintf_chk' output between 2 and 600 bytes into a destination of size 300 54 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 55 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 56 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:120:39: warning: '-out-' directive output may be truncated writing 5 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~ output_directory.cpp:120:36: note: directive argument in the range [0, 2147483647] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:120:15: /usr/include/arm-linux-gnueabihf/bits/stdio2.h:54:35: note: '__builtin___snprintf_chk' output between 7 and 315 bytes into a destination of size 300 54 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 55 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 56 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o random.lo random.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1 libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c random.cpp -fPIC -DPIC -o .libs/random.o In file included from /usr/include/c++/13/vector:72, from meep_internals.hpp:18, from near2far.cpp:23: /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const std::complex&}; _Tp = std::complex; _Alloc = std::allocator >]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In file included from /usr/include/c++/13/vector:66: In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'std::vector meep::dft_near2far::near_sourcedata(const meep::vec&, double*, size_t, const std::complex*)' at near2far.cpp:706:38: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1 libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o sources.lo sources.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c sources.cpp -fPIC -DPIC -o .libs/sources.o /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o step.lo step.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c step.cpp -fPIC -DPIC -o .libs/step.o In file included from sources.cpp:27: meep_internals.hpp: In constructor 'meep::src_vol::src_vol(meep::component, meep::src_time*, std::vector&&, std::vector >&&, bool)': meep_internals.hpp:82:38: warning: 'meep::src_vol::amp' will be initialized after [-Wreorder] 82 | std::vector > amp; // amplitudes | ^~~ meep_internals.hpp:78:8: warning: 'bool meep::src_vol::needs_boundary_fix' [-Wreorder] 78 | bool needs_boundary_fix; // whether fix_boundary_sources needs calling | ^~~~~~~~~~~~~~~~~~ sources.cpp:168:1: warning: when initialized here [-Wreorder] 168 | src_vol::src_vol(component cc, src_time *st, std::vector &&ind, | ^~~~~~~ step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 144 | CHUNK_OPENMP | /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o step_db.lo step_db.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1 libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1 libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c step_db.cpp -fPIC -DPIC -o .libs/step_db.o /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o stress.lo stress.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c stress.cpp -fPIC -DPIC -o .libs/stress.o libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o structure.lo structure.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c structure.cpp -fPIC -DPIC -o .libs/structure.o libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o structure_dump.lo structure_dump.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c structure_dump.cpp -fPIC -DPIC -o .libs/structure_dump.o /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o susceptibility.lo susceptibility.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c susceptibility.cpp -fPIC -DPIC -o .libs/susceptibility.o susceptibility.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 228 | PLOOP_OVER_VOL_OWNED(gv, c, i) { | susceptibility.cpp:242: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 242 | PLOOP_OVER_VOL_OWNED(gv, c, i) { | susceptibility.cpp:252: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 252 | PLOOP_OVER_VOL_OWNED(gv, c, i) { | susceptibility.cpp: In member function 'virtual void* meep::lorentzian_susceptibility::new_internal_data(meep::realnum* (*)[2], const meep::grid_volume&) const': susceptibility.cpp:116:53: warning: format '%lu' expects argument of type 'long unsigned int', but argument 4 has type 'size_t' {aka 'unsigned int'} [-Wformat=] 116 | if (d == NULL) meep::abort("%s:%i:out of memory(%lu)", __FILE__, __LINE__, sz); | ~~^ ~~ | | | | long unsigned int size_t {aka unsigned int} | %u susceptibility.cpp: In member function 'virtual void* meep::gyrotropic_susceptibility::new_internal_data(meep::realnum* (*)[2], const meep::grid_volume&) const': susceptibility.cpp:390:53: warning: format '%lu' expects argument of type 'long unsigned int', but argument 4 has type 'size_t' {aka 'unsigned int'} [-Wformat=] 390 | if (d == NULL) meep::abort("%s:%i:out of memory(%lu)", __FILE__, __LINE__, sz); | ~~^ ~~ | | | | long unsigned int size_t {aka unsigned int} | %u structure_dump.cpp: In member function 'void meep::structure::dump(const char*, bool)': structure_dump.cpp:296:46: warning: '_' directive output may be truncated writing 1 byte into a region of size between 0 and 9 [-Wformat-truncation=] 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^ structure_dump.cpp:296:31: note: using the range [-2147483648, 2147483647] for directive argument 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ In file included from /usr/include/stdio.h:980, from structure_dump.cpp:22: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::dump(const char*, bool)' at structure_dump.cpp:296:19: /usr/include/arm-linux-gnueabihf/bits/stdio2.h:54:35: note: '__builtin___snprintf_chk' output between 14 and 43 bytes into a destination of size 20 54 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 55 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 56 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)': structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~ structure_dump.cpp:748:31: note: directive argument in the range [0, 19] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ structure_dump.cpp:748:31: note: directive argument in the range [0, 4] In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19: /usr/include/arm-linux-gnueabihf/bits/stdio2.h:54:35: note: '__builtin___snprintf_chk' output between 14 and 24 bytes into a destination of size 20 54 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 55 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 56 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ In file included from /usr/include/c++/13/vector:72, from /usr/include/c++/13/functional:64, from meep.hpp:20, from structure_dump.cpp:27: /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const meep::grid_volume&}; _Tp = meep::grid_volume; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In file included from /usr/include/c++/13/vector:66: In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'void meep::split_by_binarytree(grid_volume, std::vector&, std::vector&, const binary_partition*)' at structure_dump.cpp:471:25: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'void meep::structure::load_chunk_layout(const char*, meep::boundary_region&)' at structure_dump.cpp:533:18: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1 libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1 In file included from /usr/include/c++/13/vector:72, from /usr/include/c++/13/functional:64, from meep.hpp:20, from structure.cpp:25: /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const meep::grid_volume&}; _Tp = meep::grid_volume; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In file included from /usr/include/c++/13/vector:66: In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'std::vector meep::structure::get_chunk_volumes() const' at structure.cpp:993:21: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o time.lo time.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o update_eh.lo update_eh.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c update_eh.cpp -fPIC -DPIC -o .libs/update_eh.o In file included from /usr/include/c++/13/vector:72, from /usr/include/c++/13/functional:64, from meep.hpp:20, from time.cpp:18: /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::reference std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]', inlined from 'void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]' at /usr/include/c++/13/bits/stl_vector.h:1299:21, inlined from 'std::vector meep::{anonymous}::timing_data_vector(const meep::time_sink_to_duration_map&)' at time.cpp:63:18: /usr/include/c++/13/bits/vector.tcc:123:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::reference std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]', inlined from 'void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]' at /usr/include/c++/13/bits/stl_vector.h:1299:21, inlined from 'std::back_insert_iterator<_Container>& std::back_insert_iterator<_Container>::operator=(typename _Container::value_type&&) [with _Container = std::vector]' at /usr/include/c++/13/bits/stl_iterator.h:747:22, inlined from '_OIter std::transform(_IIter, _IIter, _OIter, _UnaryOperation) [with _IIter = __gnu_cxx::__normal_iterator >; _OIter = back_insert_iterator >; _UnaryOperation = meep::fields::print_times()::]' at /usr/include/c++/13/bits/stl_algo.h:4309:12, inlined from 'void meep::fields::print_times()' at time.cpp:153:17: /usr/include/c++/13/bits/vector.tcc:123:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1 In file included from /usr/include/c++/13/vector:72, from /usr/include/c++/13/functional:64, from meep.hpp:20, from update_eh.cpp:21: /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const meep::grid_volume&}; _Tp = meep::grid_volume; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In file included from /usr/include/c++/13/vector:66: In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'void meep::fields::update_eh(meep::field_type, bool)' at update_eh.cpp:49:45: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o mpb.lo mpb.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o update_pols.lo update_pols.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o vec.lo vec.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o step_generic.lo step_generic.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o step_generic.cpp:91: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 91 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:97: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 97 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:104: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 104 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:109: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 109 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } | step_generic.cpp:118: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 118 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:128: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 128 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:138: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 138 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:146: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 146 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:162: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 162 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:172: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 172 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:182: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 182 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:189: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 189 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:202: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 202 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:216: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 216 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:229: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 229 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:239: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 239 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:267: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 267 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:279: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 279 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:290: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 290 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:298: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 298 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:309: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 309 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:317: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 317 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:327: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 327 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } | step_generic.cpp:330: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 330 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } | step_generic.cpp:392: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 392 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:407: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 407 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:419: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 419 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:431: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 431 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:447: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 447 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:460: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 460 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:473: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 473 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:484: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 484 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:494: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 494 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:506: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 506 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:517: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 517 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:526: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 526 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:535: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 535 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:548: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 548 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:558: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 558 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:568: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 568 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:576: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 576 | PLOOP_OVER_IVECS(gv, is, ie, i) { | step_generic.cpp:583: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 583 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } | /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o meepgeom.lo meepgeom.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas] 2959 | #pragma unroll | libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 meepgeom.cpp: In copy constructor 'meep_geom::geom_epsilon::geom_epsilon(const meep_geom::geom_epsilon&)': meepgeom.cpp:711:1: warning: base class 'class meep::material_function' should be explicitly initialized in the copy constructor [-Wextra] 711 | geom_epsilon::geom_epsilon(const geom_epsilon &geps1) { | ^~~~~~~~~~~~ meepgeom.cpp: In function 'std::complex meep_geom::get_material_gradient(const meep::vec&, meep::component, meep::component, std::complex, double, geom_epsilon*, meep::grid_volume&, double, double*, int)': meepgeom.cpp:2685:46: warning: unused variable 'dA_du' [-Wunused-variable] 2685 | std::complex row_1[3], row_2[3], dA_du[3]; | ^~~~~ meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient(double*, size_t, size_t, std::vector, std::vector, double*, double, meep::grid_volume&, meep::volume&, geom_epsilon*, double)': meepgeom.cpp:2838:21: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'unsigned int'} [-Wsign-compare] 2838 | for (int i = 0; i < ng * nf; i++) { | ~~^~~~~~~~~ meepgeom.cpp:2867:52: warning: format '%ld' expects argument of type 'long int', but argument 2 has type 'std::vector::size_type' {aka 'unsigned int'} [-Wformat=] 2867 | meep::abort("The number of adjoint chunks (%ld) is not equal to the number of forward chunks " | ~~^ | | | long int | %d 2868 | "(%ld).\n", 2869 | c_adjoint_dft_chunks.size(), c_forward_dft_chunks.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka unsigned int} meepgeom.cpp:2868:23: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'std::vector::size_type' {aka 'unsigned int'} [-Wformat=] 2868 | "(%ld).\n", | ~~^ | | | long int | %d 2869 | c_adjoint_dft_chunks.size(), c_forward_dft_chunks.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka unsigned int} meepgeom.cpp:2895:49: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'unsigned int'} [-Wsign-compare] 2895 | if ((num_f_chunks == 0) || (cur_chunk >= num_f_chunks)) continue; | ~~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2962:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'int'} and 'size_t' {aka 'unsigned int'} [-Wsign-compare] 2962 | fwd1 = ((fwd1_idx >= fwd_chunk->N) || (fwd1_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2966:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'int'} and 'size_t' {aka 'unsigned int'} [-Wsign-compare] 2966 | fwd2 = ((fwd2_idx >= fwd_chunk->N) || (fwd2_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'unsigned int'} [-Wsign-compare] 3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) { | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meepgeom.cpp:2832:88: warning: unused parameter 'where' [-Wunused-parameter] 2832 | double scalegrad, meep::grid_volume &gv, meep::volume &where, | ~~~~~~~~~~~~~~^~~~~ meepgeom.cpp: In function 'std::complex meep_geom::cond_cmp(meep::component, const meep::vec&, double, geom_epsilon*)': meepgeom.cpp:2617:1: warning: control reaches end of non-void function [-Wreturn-type] 2617 | } | ^ libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient_point(double*, vector3, double, geom_epsilon*, meep::component, meep::component, std::complex, std::complex, double, meep::grid_volume&, double)': meepgeom.cpp:2824:28: warning: 'kind' may be used uninitialized [-Wmaybe-uninitialized] 2824 | add_interpolate_weights(p.x, p.y, p.z, vcur, sz.x, sz.y, sz.z, 1, scalegrad, ucur, kind, uval, | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2825 | vector3_to_vec(p), geps, adjoint_c, forward_c, fwd, adj, freq, gv, tol); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meepgeom.cpp:2760:7: note: 'kind' was declared here 2760 | int kind; | ^~~~ In file included from /usr/include/c++/13/vector:72, from meepgeom.cpp:18: /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const meep_geom::absorber&}; _Tp = meep_geom::absorber; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In file included from /usr/include/c++/13/vector:66: In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep_geom::absorber; _Alloc = std::allocator]', inlined from 'void meep_geom::add_absorbing_layer(absorber_list, double, int, int, double, double, meep::pml_profile_func, void*)' at meepgeom.cpp:1928:19: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o step_generic_stride1.cpp:93: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 93 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:93: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:99: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 99 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:99: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:106: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 106 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:106: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:111: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 111 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } | step_generic_stride1.cpp:111: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:120: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 120 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:120: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:130: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 130 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:130: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:140: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 140 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:140: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:148: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 148 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:148: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:164: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 164 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:164: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:174: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 174 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:174: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:184: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 184 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:184: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:191: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 191 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:191: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:204: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 204 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:204: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:218: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 218 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:218: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:231: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 231 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:231: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:241: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 241 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:241: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:269: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 269 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:269: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:281: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 281 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:281: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:292: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 292 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:292: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:300: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 300 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:300: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:311: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 311 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:311: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:319: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 319 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:319: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:329: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 329 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } | step_generic_stride1.cpp:329: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:332: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 332 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } | step_generic_stride1.cpp:332: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:394: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 394 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:394: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:409: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 409 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:409: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:421: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 421 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:421: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:433: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 433 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:433: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:449: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 449 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:449: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:462: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 462 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:462: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:475: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 475 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:475: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:486: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 486 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:486: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:496: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 496 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:496: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:508: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 508 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:508: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:519: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 519 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:519: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:528: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 528 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:528: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:537: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 537 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:537: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:550: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 550 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:550: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:560: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 560 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:560: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:570: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 570 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:570: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:578: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 578 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { | step_generic_stride1.cpp:578: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:585: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 585 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } | step_generic_stride1.cpp:585: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o libmeep.la -rpath /usr/lib/arm-linux-gnueabihf array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: arm-linux-gnueabihf-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf/crti.o /usr/lib/gcc/arm-linux-gnueabihf/13/crtbeginS.o .libs/array_slice.o .libs/anisotropic_averaging.o .libs/bands.o .libs/boundaries.o .libs/bicgstab.o .libs/casimir.o .libs/cw_fields.o .libs/dft.o .libs/dft_ldos.o .libs/energy_and_flux.o .libs/fields.o .libs/fields_dump.o .libs/fix_boundary_sources.o .libs/loop_in_chunks.o .libs/h5fields.o .libs/h5file.o .libs/initialize.o .libs/integrate.o .libs/integrate2.o .libs/material_data.o .libs/monitor.o .libs/mympi.o .libs/multilevel-atom.o .libs/near2far.o .libs/output_directory.o .libs/random.o .libs/sources.o .libs/step.o .libs/step_db.o .libs/stress.o .libs/structure.o .libs/structure_dump.o .libs/susceptibility.o .libs/time.o .libs/update_eh.o .libs/mpb.o .libs/update_pols.o .libs/vec.o .libs/step_generic.o .libs/meepgeom.o .libs/GDSIIgeom.o .libs/step_generic_stride1.o -Wl,--whole-archive support/.libs/libsupport.a -Wl,--no-whole-archive -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/arm-linux-gnueabihf/13/crtendS.o /usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -Wl,-soname -Wl,libmeep.so.30 -o .libs/libmeep.so.30.0.0 libtool: link: (cd ".libs" && rm -f "libmeep.so.30" && ln -s "libmeep.so.30.0.0" "libmeep.so.30") libtool: link: (cd ".libs" && rm -f "libmeep.so" && ln -s "libmeep.so.30.0.0" "libmeep.so") libtool: link: (cd .libs/libmeep.lax/libsupport.a && arm-linux-gnueabihf-ar x "/build/reproducible-path/meep-1.25.0/src/support/.libs/libsupport.a") libtool: link: arm-linux-gnueabihf-ar cr .libs/libmeep.a array_slice.o anisotropic_averaging.o bands.o boundaries.o bicgstab.o casimir.o cw_fields.o dft.o dft_ldos.o energy_and_flux.o fields.o fields_dump.o fix_boundary_sources.o loop_in_chunks.o h5fields.o h5file.o initialize.o integrate.o integrate2.o material_data.o monitor.o mympi.o multilevel-atom.o near2far.o output_directory.o random.o sources.o step.o step_db.o stress.o structure.o structure_dump.o susceptibility.o time.o update_eh.o mpb.o update_pols.o vec.o step_generic.o meepgeom.o GDSIIgeom.o step_generic_stride1.o .libs/libmeep.lax/libsupport.a/mt19937ar.o libtool: link: arm-linux-gnueabihf-ranlib .libs/libmeep.a libtool: link: rm -fr .libs/libmeep.lax libtool: link: ( cd ".libs" && rm -f "libmeep.la" && ln -s "../libmeep.la" "libmeep.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' Making all in tests make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make[3]: Nothing to be done for 'all'. make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' Making all in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' gen-ctl-io --cxx --header -o ctl-io.h meep.scm /usr/share/libctl gen-ctl-io --cxx --swig -o ctl-io.i meep.scm /usr/share/libctl (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; perl -pe 's/^ *class +([A-Za-z_0-9:]*)( *| *:[^{]*){.*$/%rename(meep_\1) meep::\1;/' ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | grep "%rename" | sed '/meep_fields_chunk/d ; /meep_comms_manager/d ; /meep_comms_key_hash_fn/d ; /meep_timing_scope/d' | sort -u; echo; grep -hv typedef ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/(inline|const|extern|static) +//g' | perl -pe 's/^[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%rename(meep_\1) meep::\1;/' | grep "%rename" | sed '/choose_chunkdivision/d ; /meep_create_comms_manager/d' | sort -u; ) > meep_renames.i (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; for f in ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp; do egrep "^enum" $f | perl -pe 's/enum +([A-Za-z_0-9:]+).*$/\1/g' | while read enum; do cat $f | tr -d '\n' | perl -pe 's/.*enum +'${enum}' *{([^}]*)}.*/\1/g' | perl -pe 's/= *[0-9]+//g' |tr -d ' \t' | tr ',' '\n' | perl -pe 's/^(.*)$/'"%rename(meep_${enum}_\1) meep::\1;/g"; echo; done; done;) > meep_enum_renames.i (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; grep -h friend ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/^ *friend +[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%ignore \1;/' | grep "%ignore" | sort -u;) > meep_swig_bug_workaround.i (perl -pe 's/%rename\(([A-Za-z0-9_]*)\) *([A-Za-z0-9:_]*);$/(define \2 (\1))/' meep_enum_renames.i | perl -pe 's/[A-Za-z0-9:_]*:://g' | perl -pe 's/_/-/g' | perl -pe 's,//,;,'; echo "(define Centered Dielectric)") > meep-enums.scm ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.25.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-4-4.6/usr/share/libctl/base/include.scm.go ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.25.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-4-4.6/usr/share/libctl/base/include.scm.go swig -I../src -c++ -guile -o meep_wrap.cxx ./meep.i cp -f /usr/share/libctl/base/main.c main.cpp cp -f /usr/share/libctl/utils/geom.c geom.cpp gen-ctl-io --cxx --code -o ctl-io.cpp meep.scm /usr/share/libctl patch -p0 meep_wrap.cxx < ./meep_wrap.patch patching file meep_wrap.cxx Hunk #1 succeeded at 813 (offset 62 lines). sed -i.bak '/(SCM_SMOB_PREDICATE(swig_tag, smob) || SCM_SMOB_PREDICATE(swig_collectable_tag, smob))/ s/swig_collectable_tag, smob)/swig_collectable_tag, smob) || SCM_SMOB_PREDICATE((swig_collectable_tag \& ~0xff00), (smob))/' meep_wrap.cxx; make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o meep-meep.o `test -f 'meep.cpp' || echo './'`meep.cpp arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o meep-structure.o `test -f 'structure.cpp' || echo './'`structure.cpp arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o meep-meep_wrap.o `test -f 'meep_wrap.cxx' || echo './'`meep_wrap.cxx arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o meep-main.o `test -f 'main.cpp' || echo './'`main.cpp In file included from ctl-io.h:7, from main.cpp:37: main.cpp: In function 'void main_entry(void*, int, char**)': main.cpp:194:31: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 194 | gh_new_procedure("subplex", (SCM(*)(void))subplex_scm, 7, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:202:44: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 202 | gh_new_procedure("adaptive-integration", (SCM(*)(void))adaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:205:45: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 205 | gh_new_procedure("cadaptive-integration", (SCM(*)(void))cadaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o meep-geom.o `test -f 'geom.cpp' || echo './'`geom.cpp geom.cpp:22: warning: "_GNU_SOURCE" redefined 22 | #define _GNU_SOURCE | : note: this is the location of the previous definition In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] 581 | mat2 = mat1; | ~~~~~^~~~~~ structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': structure.cpp:509:17: note: 'mat1' declared here 509 | material_type mat1, mat2; | ^~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_0(int, scm_unused_struct**)': meep_wrap.cxx:36013:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36013 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36016:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36016 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_1(int, scm_unused_struct**)': meep_wrap.cxx:36078:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36078 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36081:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36081 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_2(int, scm_unused_struct**)': meep_wrap.cxx:36142:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36142 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36145:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36145 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ geom.cpp: In function 'vector3 normal_to_prism(ctlio::prism*, vector3)': geom.cpp:2357:11: warning: variable 'axisp' set but not used [-Wunused-but-set-variable] 2357 | vector3 axisp = vector3_scale(height, zhatp); | ^~~~~ arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o meep-ctl-io.o `test -f 'ctl-io.cpp' || echo './'`ctl-io.cpp In file included from ctl-io.h:7, from ctl-io.cpp:7: ctl-io.cpp: In function 'void ctlio::export_external_functions()': ctl-io.cpp:2229:38: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2229 | gh_new_procedure("square-basis-aux", (SCM (*)()) square_basis_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2230:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2230 | gh_new_procedure("range-overlap-with-object-aux", (SCM (*)()) range_overlap_with_object_aux, 5, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2231:55: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2231 | gh_new_procedure("display-geometric-object-info-aux", (SCM (*)()) display_geometric_object_info_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2232:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2232 | gh_new_procedure("point-in-periodic-object?-aux", (SCM (*)()) point_in_periodic_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2233:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2233 | gh_new_procedure("normal-to-object-aux", (SCM (*)()) normal_to_object_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2234:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2234 | gh_new_procedure("point-in-object?-aux", (SCM (*)()) point_in_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=link arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o .libs/meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/.libs/libmeep.so -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' Making all in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o pympb.cpp:30:1: warning: multi-line comment [-Wcomment] 30 | // #define LOOP_XYZ(md) \ | ^ pympb.cpp: In member function 'void py_mpb::mode_solver::fix_field_phase()': pympb.cpp:56:16: warning: comparison between two arrays [-Warray-compare] 56 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:71:9: note: in definition of macro 'CHECK' 71 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2012:3: note: in expansion of macro 'mpi_allreduce' 2012 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ pympb.cpp:56:16: note: use unary '+' which decays operands to pointers or '&(sq_sum2)[0] != &(sq_sum)[0]' to compare the addresses 56 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:71:9: note: in definition of macro 'CHECK' 71 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2012:3: note: in expansion of macro 'mpi_allreduce' 2012 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ pympb.cpp: In member function 'int py_mpb::mode_solver::mean_epsilon(symmetric_matrix*, symmetric_matrix*, mpb_real*, mpb_real, mpb_real, mpb_real, mpb_real, const mpb_real*)': pympb.cpp:384:51: warning: 'mat2' may be used uninitialized [-Wmaybe-uninitialized] 384 | if (id1 == id2 || meep_geom::material_type_equal(mat1, mat2)) { | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ pympb.cpp:263:28: note: 'mat2' was declared here 263 | meep_geom::material_type mat2; | ^~~~ libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o libpympb.la -rpath /usr/lib/arm-linux-gnueabihf libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: arm-linux-gnueabihf-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf/crti.o /usr/lib/gcc/arm-linux-gnueabihf/13/crtbeginS.o .libs/libpympb_la-pympb.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.25.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/arm-linux-gnueabihf/13/crtendS.o /usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -Wl,-soname -Wl,libpympb.so.30 -o .libs/libpympb.so.30.0.0 libtool: link: (cd ".libs" && rm -f "libpympb.so.30" && ln -s "libpympb.so.30.0.0" "libpympb.so.30") libtool: link: (cd ".libs" && rm -f "libpympb.so" && ln -s "libpympb.so.30.0.0" "libpympb.so") libtool: link: arm-linux-gnueabihf-ar cr .libs/libpympb.a libpympb_la-pympb.o libtool: link: arm-linux-gnueabihf-ranlib .libs/libpympb.a libtool: link: ( cd ".libs" && rm -f "libpympb.la" && ln -s "../libpympb.la" "libpympb.la" ) make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/libpympb' Making all in python make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/python' swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o meep-python.cxx ./meep.i swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o mpb-python.cxx ./mpb.i ../src/meep.hpp:1633: Warning 362: operator= ignored ../src/meep.hpp:1633: Warning 362: operator= ignored cp meep.py __init__.py echo "__version__ = '1.25.0'" >> __init__.py if [[ "4.2.1" = 3.0.12 ]]; then \ sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' __init__.py; \ sed -i.bak 's/ import _meep/from . import _meep/' __init__.py; \ fi if [[ "4.2.1" == 3.0.12 ]]; then \ sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' mpb.py; \ sed -i.bak 's/ import _mpb/from . import _mpb/' mpb.py; \ fi make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/python' /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx /bin/bash ../libtool --tag=CXX --mode=compile arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o In file included from mpb-python.cxx:3362: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ meep-python.cxx: In function 'meep::structure* create_structure(vector3, std::vector, std::vector, std::vector, std::vector, std::vector, meep::grid_volume&, const meep::boundary_region&, const meep::symmetry&, int, double, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep::structure*, bool, const meep::binary_partition*)': meep-python.cxx:7494:62: warning: unused parameter 'alist' [-Wunused-parameter] 7494 | meep_geom::absorber_list alist, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx:7495:67: warning: unused parameter 'extra_materials' [-Wunused-parameter] 7495 | meep_geom::material_type_list extra_materials, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~ meep-python.cxx:7497:42: warning: unused parameter 'set_materials' [-Wunused-parameter] 7497 | bool set_materials, | ~~~~~^~~~~~~~~~~~~ meep-python.cxx: In function 'meep_geom::geom_epsilon* _set_materials(meep::structure*, vector3, meep::grid_volume&, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep_geom::geom_epsilon*, bool, const meep::binary_partition*)': meep-python.cxx:7541:29: warning: unused parameter 'cell_size' [-Wunused-parameter] 7541 | vector3 cell_size, | ~~~~~~~~^~~~~~~~~ meep-python.cxx:7542:40: warning: unused parameter 'gv' [-Wunused-parameter] 7542 | meep::grid_volume &gv, | ~~~~~~~~~~~~~~~~~~~^~ meep-python.cxx:7555:26: warning: unused parameter 'output_chunk_costs' [-Wunused-parameter] 7555 | bool output_chunk_costs, | ~~~~~^~~~~~~~~~~~~~~~~~ meep-python.cxx:7556:51: warning: unused parameter 'my_bp' [-Wunused-parameter] 7556 | const meep::binary_partition *my_bp) { | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:25531:87: warning: unused parameter 'varargs' [-Wunused-parameter] 25531 | SWIGINTERN PyObject *_wrap_abort__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort(PyObject*, PyObject*)': meep-python.cxx:25564:44: warning: unused parameter 'self' [-Wunused-parameter] 25564 | SWIGINTERN PyObject *_wrap_abort(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125657:95: warning: unused parameter 'varargs' [-Wunused-parameter] 125657 | SWIGINTERN PyObject *_wrap_master_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf(PyObject*, PyObject*)': meep-python.cxx:125690:52: warning: unused parameter 'self' [-Wunused-parameter] 125690 | SWIGINTERN PyObject *_wrap_master_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125704:102: warning: unused parameter 'varargs' [-Wunused-parameter] 125704 | SWIGINTERN PyObject *_wrap_master_printf_stderr__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr(PyObject*, PyObject*)': meep-python.cxx:125737:59: warning: unused parameter 'self' [-Wunused-parameter] 125737 | SWIGINTERN PyObject *_wrap_master_printf_stderr(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125751:94: warning: unused parameter 'varargs' [-Wunused-parameter] 125751 | SWIGINTERN PyObject *_wrap_debug_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf(PyObject*, PyObject*)': meep-python.cxx:125784:51: warning: unused parameter 'self' [-Wunused-parameter] 125784 | SWIGINTERN PyObject *_wrap_debug_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125798:96: warning: unused parameter 'varargs' [-Wunused-parameter] 125798 | SWIGINTERN PyObject *_wrap_master_fprintf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf(PyObject*, PyObject*)': meep-python.cxx:125840:53: warning: unused parameter 'self' [-Wunused-parameter] 125840 | SWIGINTERN PyObject *_wrap_master_fprintf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ In file included from meep-python.cxx:4065: typemap_utils.cpp: At global scope: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: arm-linux-gnueabihf-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf/crti.o /usr/lib/gcc/arm-linux-gnueabihf/13/crtbeginS.o .libs/_mpb_la-mpb-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.25.0/libpympb/.libs ../libpympb/.libs/libpympb.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/arm-linux-gnueabihf/13/crtendS.o /usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -Wl,-soname -Wl,_mpb.so.30 -o .libs/_mpb.so.30.0.0 libtool: link: (cd ".libs" && rm -f "_mpb.so.30" && ln -s "_mpb.so.30.0.0" "_mpb.so.30") libtool: link: (cd ".libs" && rm -f "_mpb.so" && ln -s "_mpb.so.30.0.0" "_mpb.so") libtool: link: arm-linux-gnueabihf-ar cr .libs/_mpb.a _mpb_la-mpb-python.o libtool: link: arm-linux-gnueabihf-ranlib .libs/_mpb.a libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" ) In file included from /usr/include/c++/13/vector:72, from ../src/meep/vec.hpp:23, from meep-python.cxx:3483: /usr/include/c++/13/bits/vector.tcc: In function 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator >; _Tp = meep::volume; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:751:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 751 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc:751:7: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 /usr/include/c++/13/bits/vector.tcc:751:7: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 /usr/include/c++/13/bits/vector.tcc: In function 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator >; _Tp = meep::grid_volume; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:751:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 /usr/include/c++/13/bits/vector.tcc:751:7: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 /usr/include/c++/13/bits/vector.tcc:751:7: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 /usr/include/c++/13/bits/vector.tcc: In function 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator > >; _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:751:7: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 /usr/include/c++/13/bits/vector.tcc:751:7: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 /usr/include/c++/13/bits/vector.tcc:751:7: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 /usr/include/c++/13/bits/vector.tcc: In function 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator*, std::vector > >; _Tp = std::complex; _Alloc = std::allocator >]': /usr/include/c++/13/bits/vector.tcc:751:7: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 /usr/include/c++/13/bits/vector.tcc:751:7: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 /usr/include/c++/13/bits/vector.tcc:751:7: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 /usr/include/c++/13/bits/vector.tcc: In function 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator >; _Tp = double; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:751:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 /usr/include/c++/13/bits/vector.tcc:751:7: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 /usr/include/c++/13/bits/vector.tcc:751:7: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const meep_geom::fragment_stats&}; _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In file included from /usr/include/c++/13/vector:66: In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]', inlined from 'void std_vector_Sl_meep_geom_fragment_stats_Sg__append(std::vector >*, const std::vector >::value_type&)' at meep-python.cxx:6267:22, inlined from 'PyObject* _wrap_FragmentStatsVector_append(PyObject*, PyObject*)' at meep-python.cxx:10278:56: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]', inlined from 'Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector >; Difference = int]' at meep-python.cxx:5886:30: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]', inlined from 'Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector >; Difference = int]' at meep-python.cxx:5901:28: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]', inlined from 'PyObject* _wrap_FragmentStatsVector_push_back(PyObject*, PyObject*)' at meep-python.cxx:11019:24: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_erase(iterator) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:181:5: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 181 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_erase(iterator, iterator) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:195:5: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 195 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc:195:5: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]', inlined from 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector >; Difference = int]' at meep-python.cxx:5985:20: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]', inlined from 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector >; Difference = int]' at meep-python.cxx:5990:27: /usr/include/c++/13/bits/stl_vector.h:1535:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 1535 | { return _M_erase(begin() + (__position - cbegin())); } | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]', inlined from 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector >; Difference = int]' at meep-python.cxx:6002:33: /usr/include/c++/13/bits/stl_vector.h:1535:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 1535 | { return _M_erase(begin() + (__position - cbegin())); } | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator > >; = void; _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]', inlined from 'void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector >; Difference = int; InputSeq = std::vector >]' at meep-python.cxx:5926:23: /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 1486 | _M_range_insert(begin() + __offset, __first, __last, | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 1487 | std::__iterator_category(__first)); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]', inlined from 'void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector >; Difference = int; InputSeq = std::vector >]' at meep-python.cxx:5933:22: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator > >; = void; _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]', inlined from 'void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector >; Difference = int; InputSeq = std::vector >]' at meep-python.cxx:5936:23: /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 1486 | _M_range_insert(begin() + __offset, __first, __last, | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 1487 | std::__iterator_category(__first)); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]', inlined from 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector >; Difference = int]' at meep-python.cxx:5985:20, inlined from 'void std_vector_Sl_meep_geom_fragment_stats_Sg____delslice__(std::vector >*, std::vector >::difference_type, std::vector >::difference_type)' at meep-python.cxx:6169:21, inlined from 'PyObject* _wrap_FragmentStatsVector___delslice__(PyObject*, PyObject*)' at meep-python.cxx:9698:64: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_insert_aux(iterator, _Arg&&) [with _Arg = meep_geom::fragment_stats; _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:413:7: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 413 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_fill_insert(iterator, size_type, const value_type&) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:529:5: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 529 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const meep::volume&}; _Tp = meep::volume; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep::volume; _Alloc = std::allocator]', inlined from 'PyObject* _wrap_VolumeVector_push_back(PyObject*, PyObject*)' at meep-python.cxx:15241:24: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep::volume; _Alloc = std::allocator]', inlined from 'Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]' at meep-python.cxx:5886:30: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep::volume; _Alloc = std::allocator]', inlined from 'Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]' at meep-python.cxx:5901:28: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep::volume; _Alloc = std::allocator]', inlined from 'void std_vector_Sl_meep_volume_Sg__append(std::vector*, const std::vector::value_type&)' at meep-python.cxx:6485:22, inlined from 'PyObject* _wrap_VolumeVector_append(PyObject*, PyObject*)' at meep-python.cxx:14579:43: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_erase(iterator) [with _Tp = meep::volume; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:181:5: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 181 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_erase(iterator, iterator) [with _Tp = meep::volume; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:195:5: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 195 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc:195:5: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = meep::volume; _Alloc = std::allocator]', inlined from 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]' at meep-python.cxx:5985:20: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator) [with _Tp = meep::volume; _Alloc = std::allocator]', inlined from 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]' at meep-python.cxx:5990:27: /usr/include/c++/13/bits/stl_vector.h:1535:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1535 | { return _M_erase(begin() + (__position - cbegin())); } | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator) [with _Tp = meep::volume; _Alloc = std::allocator]', inlined from 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]' at meep-python.cxx:6002:33: /usr/include/c++/13/bits/stl_vector.h:1535:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1535 | { return _M_erase(begin() + (__position - cbegin())); } | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; = void; _Tp = meep::volume; _Alloc = std::allocator]', inlined from 'void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector; Difference = int; InputSeq = std::vector]' at meep-python.cxx:5926:23: /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1486 | _M_range_insert(begin() + __offset, __first, __last, | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 1487 | std::__iterator_category(__first)); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = meep::volume; _Alloc = std::allocator]', inlined from 'void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector; Difference = int; InputSeq = std::vector]' at meep-python.cxx:5933:22: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; = void; _Tp = meep::volume; _Alloc = std::allocator]', inlined from 'void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector; Difference = int; InputSeq = std::vector]' at meep-python.cxx:5936:23: /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1486 | _M_range_insert(begin() + __offset, __first, __last, | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 1487 | std::__iterator_category(__first)); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = meep::volume; _Alloc = std::allocator]', inlined from 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]' at meep-python.cxx:5985:20, inlined from 'void std_vector_Sl_meep_volume_Sg____delslice__(std::vector*, std::vector::difference_type, std::vector::difference_type)' at meep-python.cxx:6422:21, inlined from 'PyObject* _wrap_VolumeVector___delslice__(PyObject*, PyObject*)' at meep-python.cxx:13999:51: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_insert_aux(iterator, _Arg&&) [with _Arg = meep::volume; _Tp = meep::volume; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:413:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 413 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_fill_insert(iterator, size_type, const value_type&) [with _Tp = meep::volume; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:529:5: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 529 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const meep::grid_volume&}; _Tp = meep::grid_volume; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'PyObject* _wrap_GridVolumeVector_push_back(PyObject*, PyObject*)' at meep-python.cxx:17379:24: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]' at meep-python.cxx:5886:30: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]' at meep-python.cxx:5901:28: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'void std_vector_Sl_meep_grid_volume_Sg__append(std::vector*, const std::vector::value_type&)' at meep-python.cxx:6594:22, inlined from 'PyObject* _wrap_GridVolumeVector_append(PyObject*, PyObject*)' at meep-python.cxx:16638:48: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_erase(iterator) [with _Tp = meep::grid_volume; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:181:5: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 181 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_erase(iterator, iterator) [with _Tp = meep::grid_volume; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:195:5: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 195 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc:195:5: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]' at meep-python.cxx:5985:20: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]' at meep-python.cxx:5990:27: /usr/include/c++/13/bits/stl_vector.h:1535:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1535 | { return _M_erase(begin() + (__position - cbegin())); } | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]' at meep-python.cxx:6002:33: /usr/include/c++/13/bits/stl_vector.h:1535:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1535 | { return _M_erase(begin() + (__position - cbegin())); } | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; = void; _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector; Difference = int; InputSeq = std::vector]' at meep-python.cxx:5926:23: /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1486 | _M_range_insert(begin() + __offset, __first, __last, | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 1487 | std::__iterator_category(__first)); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector; Difference = int; InputSeq = std::vector]' at meep-python.cxx:5933:22: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; = void; _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector; Difference = int; InputSeq = std::vector]' at meep-python.cxx:5936:23: /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1486 | _M_range_insert(begin() + __offset, __first, __last, | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 1487 | std::__iterator_category(__first)); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]' at meep-python.cxx:5985:20, inlined from 'void std_vector_Sl_meep_grid_volume_Sg____delslice__(std::vector*, std::vector::difference_type, std::vector::difference_type)' at meep-python.cxx:6531:21, inlined from 'PyObject* _wrap_GridVolumeVector___delslice__(PyObject*, PyObject*)' at meep-python.cxx:16058:56: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_insert_aux(iterator, _Arg&&) [with _Arg = meep::grid_volume; _Tp = meep::grid_volume; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:413:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 413 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_fill_insert(iterator, size_type, const value_type&) [with _Tp = meep::grid_volume; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:529:5: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 529 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]', inlined from 'void std_vector_Sl_double_Sg__append(std::vector*, const std::vector::value_type&)' at meep-python.cxx:6967:22, inlined from 'PyObject* _wrap_DoubleVector_append(PyObject*, PyObject*)' at meep-python.cxx:23368:38: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]', inlined from 'Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]' at meep-python.cxx:5886:30: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]', inlined from 'Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]' at meep-python.cxx:5901:28: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]', inlined from 'PyObject* _wrap_DoubleVector_push_back(PyObject*, PyObject*)' at meep-python.cxx:24109:24: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_erase(iterator) [with _Tp = double; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:181:5: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 181 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_erase(iterator, iterator) [with _Tp = double; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:195:5: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 195 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc:195:5: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = double; _Alloc = std::allocator]', inlined from 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]' at meep-python.cxx:5985:20: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; = void; _Tp = double; _Alloc = std::allocator]', inlined from 'void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector; Difference = int; InputSeq = std::vector]' at meep-python.cxx:5926:23: /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1486 | _M_range_insert(begin() + __offset, __first, __last, | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 1487 | std::__iterator_category(__first)); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = double; _Alloc = std::allocator]', inlined from 'void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector; Difference = int; InputSeq = std::vector]' at meep-python.cxx:5933:22: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; = void; _Tp = double; _Alloc = std::allocator]', inlined from 'void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector; Difference = int; InputSeq = std::vector]' at meep-python.cxx:5936:23: /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1486 | _M_range_insert(begin() + __offset, __first, __last, | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 1487 | std::__iterator_category(__first)); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = double; _Alloc = std::allocator]', inlined from 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]' at meep-python.cxx:5985:20, inlined from 'void std_vector_Sl_double_Sg____delslice__(std::vector*, std::vector::difference_type, std::vector::difference_type)' at meep-python.cxx:6904:21, inlined from 'PyObject* _wrap_DoubleVector___delslice__(PyObject*, PyObject*)' at meep-python.cxx:22788:46: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_insert_aux(iterator, _Arg&&) [with _Arg = double; _Tp = double; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:413:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 413 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_fill_insert(iterator, size_type, const value_type&) [with _Tp = double; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:529:5: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 529 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const std::complex&}; _Tp = std::complex; _Alloc = std::allocator >]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'PyObject* _wrap_ComplexVector_push_back(PyObject*, PyObject*)' at meep-python.cxx:142862:24: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector >; Difference = int]' at meep-python.cxx:5886:30: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector >; Difference = int]' at meep-python.cxx:5901:28: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'void std_vector_Sl_std_complex_Sl_double_Sg__Sg__append(std::vector >*, const std::vector >::value_type&)' at meep-python.cxx:7457:22, inlined from 'PyObject* _wrap_ComplexVector_append(PyObject*, PyObject*)' at meep-python.cxx:142121:57: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_erase(iterator) [with _Tp = std::complex; _Alloc = std::allocator >]': /usr/include/c++/13/bits/vector.tcc:181:5: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 181 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_erase(iterator, iterator) [with _Tp = std::complex; _Alloc = std::allocator >]': /usr/include/c++/13/bits/vector.tcc:195:5: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 195 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc:195:5: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector >; Difference = int]' at meep-python.cxx:5985:20: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator) [with _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector >; Difference = int]' at meep-python.cxx:5990:27: /usr/include/c++/13/bits/stl_vector.h:1535:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 1535 | { return _M_erase(begin() + (__position - cbegin())); } | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator) [with _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector >; Difference = int]' at meep-python.cxx:6002:33: /usr/include/c++/13/bits/stl_vector.h:1535:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 1535 | { return _M_erase(begin() + (__position - cbegin())); } | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator*, std::vector > >; = void; _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector >; Difference = int; InputSeq = std::vector >]' at meep-python.cxx:5926:23: /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 1486 | _M_range_insert(begin() + __offset, __first, __last, | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 1487 | std::__iterator_category(__first)); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector >; Difference = int; InputSeq = std::vector >]' at meep-python.cxx:5933:22: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator*, std::vector > >; = void; _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector >; Difference = int; InputSeq = std::vector >]' at meep-python.cxx:5936:23: /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 1486 | _M_range_insert(begin() + __offset, __first, __last, | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 1487 | std::__iterator_category(__first)); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/stl_vector.h:1486:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector >; Difference = int]' at meep-python.cxx:5985:20, inlined from 'void std_vector_Sl_std_complex_Sl_double_Sg__Sg____delslice__(std::vector >*, std::vector >::difference_type, std::vector >::difference_type)' at meep-python.cxx:7394:21, inlined from 'PyObject* _wrap_ComplexVector___delslice__(PyObject*, PyObject*)' at meep-python.cxx:141541:65: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_insert_aux(iterator, _Arg&&) [with _Arg = std::complex; _Tp = std::complex; _Alloc = std::allocator >]': /usr/include/c++/13/bits/vector.tcc:413:7: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 413 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_fill_insert(iterator, size_type, const value_type&) [with _Tp = std::complex; _Alloc = std::allocator >]': /usr/include/c++/13/bits/vector.tcc:529:5: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 529 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_insert_rval(const_iterator, value_type&&) [with _Tp = double; _Alloc = std::allocator]', inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, value_type&&) [with _Tp = double; _Alloc = std::allocator]' at /usr/include/c++/13/bits/stl_vector.h:1394:30, inlined from 'static void swig::IteratorProtocol::assign(PyObject*, Seq*) [with Seq = std::vector; T = double]' at meep-python.cxx:6020:22: /usr/include/c++/13/bits/vector.tcc:370:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 370 | _M_insert_aux(begin() + __n, std::move(__v)); | ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, const value_type&) [with _Tp = double; _Alloc = std::allocator]', inlined from 'std::vector::iterator std_vector_Sl_double_Sg__insert__SWIG_0(std::vector*, std::vector::iterator, const std::vector::value_type&)' at meep-python.cxx:6971:212, inlined from 'PyObject* _wrap_DoubleVector_insert__SWIG_0(PyObject*, PyObject*)' at meep-python.cxx:24381:55, inlined from 'PyObject* _wrap_DoubleVector_insert(PyObject*, PyObject*)' at meep-python.cxx:24485:51: /usr/include/c++/13/bits/vector.tcc:162:28: note: parameter passing for argument of type 'const __gnu_cxx::__normal_iterator >' changed in GCC 7.1 162 | _M_insert_aux(__pos, std::move(__x_copy._M_val())); | ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc:170:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 170 | _M_realloc_insert(begin() + (__position - cbegin()), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, size_type, const value_type&) [with _Tp = double; _Alloc = std::allocator]', inlined from 'void std_vector_Sl_double_Sg__insert__SWIG_1(std::vector*, std::vector::iterator, std::vector::size_type, const std::vector::value_type&)' at meep-python.cxx:6972:213, inlined from 'PyObject* _wrap_DoubleVector_insert__SWIG_1(PyObject*, PyObject*)' at meep-python.cxx:24446:46, inlined from 'PyObject* _wrap_DoubleVector_insert(PyObject*, PyObject*)' at meep-python.cxx:24509:53: /usr/include/c++/13/bits/stl_vector.h:1440:23: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1440 | _M_fill_insert(begin() + __offset, __n, __x); | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::resize(size_type, const value_type&) [with _Tp = double; _Alloc = std::allocator]', inlined from 'PyObject* _wrap_DoubleVector_resize__SWIG_1(PyObject*, PyObject*)' at meep-python.cxx:24269:21, inlined from 'PyObject* _wrap_DoubleVector_resize(PyObject*, PyObject*)' at meep-python.cxx:24323:51: /usr/include/c++/13/bits/stl_vector.h:1037:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1037 | _M_fill_insert(end(), __new_size - size(), __x); | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator) [with _Tp = double; _Alloc = std::allocator]', inlined from 'std::vector::iterator std_vector_Sl_double_Sg__erase__SWIG_0(std::vector*, std::vector::iterator)' at meep-python.cxx:6969:167, inlined from 'PyObject* _wrap_DoubleVector_erase__SWIG_0(PyObject*, PyObject*)' at meep-python.cxx:23852:54, inlined from 'PyObject* _wrap_DoubleVector_erase(PyObject*, PyObject*)' at meep-python.cxx:23948:48: /usr/include/c++/13/bits/stl_vector.h:1535:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1535 | { return _M_erase(begin() + (__position - cbegin())); } | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = double; _Alloc = std::allocator]', inlined from 'std::vector::iterator std_vector_Sl_double_Sg__erase__SWIG_1(std::vector*, std::vector::iterator, std::vector::iterator)' at meep-python.cxx:6970:206, inlined from 'PyObject* _wrap_DoubleVector_erase__SWIG_1(PyObject*, PyObject*)' at meep-python.cxx:23913:54, inlined from 'PyObject* _wrap_DoubleVector_erase(PyObject*, PyObject*)' at meep-python.cxx:23965:50: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator) [with _Tp = double; _Alloc = std::allocator]', inlined from 'void swig::erase(Sequence*, const typename Sequence::iterator&) [with Sequence = std::vector]' at meep-python.cxx:5856:15, inlined from 'void std_vector_Sl_double_Sg____delitem____SWIG_0(std::vector*, std::vector::difference_type)' at meep-python.cxx:6907:18, inlined from 'PyObject* _wrap_DoubleVector___delitem____SWIG_0(PyObject*, PyObject*)' at meep-python.cxx:22832:53, inlined from 'PyObject* _wrap_DoubleVector___delitem__(PyObject*, PyObject*)' at meep-python.cxx:23074:54: /usr/include/c++/13/bits/stl_vector.h:1535:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1535 | { return _M_erase(begin() + (__position - cbegin())); } | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {meep_geom::fragment_stats}; _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_insert_rval(const_iterator, value_type&&) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]', inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, value_type&&) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]' at /usr/include/c++/13/bits/stl_vector.h:1394:30, inlined from 'static void swig::IteratorProtocol::assign(PyObject*, Seq*) [with Seq = std::vector >; T = meep_geom::fragment_stats]' at meep-python.cxx:6020:22, inlined from 'static int swig::traits_asptr_stdseq::asptr(PyObject*, sequence**) [with Seq = std::vector >; T = meep_geom::fragment_stats]' at meep-python.cxx:6065:45: /usr/include/c++/13/bits/vector.tcc:370:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 370 | _M_insert_aux(begin() + __n, std::move(__v)); | ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc:372:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 372 | _M_realloc_insert(begin() + __n, std::move(__v)); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, const value_type&) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]', inlined from 'std::vector >::iterator std_vector_Sl_meep_geom_fragment_stats_Sg__insert__SWIG_0(std::vector >*, std::vector >::iterator, const std::vector >::value_type&)' at meep-python.cxx:6271:306, inlined from 'PyObject* _wrap_FragmentStatsVector_insert__SWIG_0(PyObject*, PyObject*)' at meep-python.cxx:11292:73, inlined from 'PyObject* _wrap_FragmentStatsVector_insert(PyObject*, PyObject*)' at meep-python.cxx:11395:58: /usr/include/c++/13/bits/vector.tcc:162:28: note: parameter passing for argument of type 'const __gnu_cxx::__normal_iterator > >' changed in GCC 7.1 162 | _M_insert_aux(__pos, std::move(__x_copy._M_val())); | ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc:170:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 170 | _M_realloc_insert(begin() + (__position - cbegin()), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, size_type, const value_type&) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]', inlined from 'void std_vector_Sl_meep_geom_fragment_stats_Sg__insert__SWIG_1(std::vector >*, std::vector >::iterator, std::vector >::size_type, const std::vector >::value_type&)' at meep-python.cxx:6272:307, inlined from 'PyObject* _wrap_FragmentStatsVector_insert__SWIG_1(PyObject*, PyObject*)' at meep-python.cxx:11358:64, inlined from 'PyObject* _wrap_FragmentStatsVector_insert(PyObject*, PyObject*)' at meep-python.cxx:11417:60: /usr/include/c++/13/bits/stl_vector.h:1440:23: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 1440 | _M_fill_insert(begin() + __offset, __n, __x); | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::resize(size_type, const value_type&) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]', inlined from 'PyObject* _wrap_FragmentStatsVector_resize__SWIG_1(PyObject*, PyObject*)' at meep-python.cxx:11181:21, inlined from 'PyObject* _wrap_FragmentStatsVector_resize(PyObject*, PyObject*)' at meep-python.cxx:11233:58: /usr/include/c++/13/bits/stl_vector.h:1037:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 1037 | _M_fill_insert(end(), __new_size - size(), __x); | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]', inlined from 'std::vector >::iterator std_vector_Sl_meep_geom_fragment_stats_Sg__erase__SWIG_0(std::vector >*, std::vector >::iterator)' at meep-python.cxx:6269:242, inlined from 'PyObject* _wrap_FragmentStatsVector_erase__SWIG_0(PyObject*, PyObject*)' at meep-python.cxx:10762:72, inlined from 'PyObject* _wrap_FragmentStatsVector_erase(PyObject*, PyObject*)' at meep-python.cxx:10858:55: /usr/include/c++/13/bits/stl_vector.h:1535:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 1535 | { return _M_erase(begin() + (__position - cbegin())); } | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]', inlined from 'std::vector >::iterator std_vector_Sl_meep_geom_fragment_stats_Sg__erase__SWIG_1(std::vector >*, std::vector >::iterator, std::vector >::iterator)' at meep-python.cxx:6270:300, inlined from 'PyObject* _wrap_FragmentStatsVector_erase__SWIG_1(PyObject*, PyObject*)' at meep-python.cxx:10823:72, inlined from 'PyObject* _wrap_FragmentStatsVector_erase(PyObject*, PyObject*)' at meep-python.cxx:10875:57: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator) [with _Tp = meep_geom::fragment_stats; _Alloc = std::allocator]', inlined from 'void swig::erase(Sequence*, const typename Sequence::iterator&) [with Sequence = std::vector >]' at meep-python.cxx:5856:15, inlined from 'void std_vector_Sl_meep_geom_fragment_stats_Sg____delitem____SWIG_0(std::vector >*, std::vector >::difference_type)' at meep-python.cxx:6172:18, inlined from 'PyObject* _wrap_FragmentStatsVector___delitem____SWIG_0(PyObject*, PyObject*)' at meep-python.cxx:9742:71, inlined from 'PyObject* _wrap_FragmentStatsVector___delitem__(PyObject*, PyObject*)' at meep-python.cxx:9984:61: /usr/include/c++/13/bits/stl_vector.h:1535:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator > >' changed in GCC 7.1 1535 | { return _M_erase(begin() + (__position - cbegin())); } | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {meep::volume}; _Tp = meep::volume; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_insert_rval(const_iterator, value_type&&) [with _Tp = meep::volume; _Alloc = std::allocator]', inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, value_type&&) [with _Tp = meep::volume; _Alloc = std::allocator]' at /usr/include/c++/13/bits/stl_vector.h:1394:30, inlined from 'static void swig::IteratorProtocol::assign(PyObject*, Seq*) [with Seq = std::vector; T = meep::volume]' at meep-python.cxx:6020:22, inlined from 'static int swig::traits_asptr_stdseq::asptr(PyObject*, sequence**) [with Seq = std::vector; T = meep::volume]' at meep-python.cxx:6065:45: /usr/include/c++/13/bits/vector.tcc:370:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 370 | _M_insert_aux(begin() + __n, std::move(__v)); | ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc:372:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 372 | _M_realloc_insert(begin() + __n, std::move(__v)); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, const value_type&) [with _Tp = meep::volume; _Alloc = std::allocator]', inlined from 'std::vector::iterator std_vector_Sl_meep_volume_Sg__insert__SWIG_0(std::vector*, std::vector::iterator, const std::vector::value_type&)' at meep-python.cxx:6489:241, inlined from 'PyObject* _wrap_VolumeVector_insert__SWIG_0(PyObject*, PyObject*)' at meep-python.cxx:15410:60, inlined from 'PyObject* _wrap_VolumeVector_insert(PyObject*, PyObject*)' at meep-python.cxx:15513:51: /usr/include/c++/13/bits/vector.tcc:162:28: note: parameter passing for argument of type 'const __gnu_cxx::__normal_iterator >' changed in GCC 7.1 162 | _M_insert_aux(__pos, std::move(__x_copy._M_val())); | ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc:170:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 170 | _M_realloc_insert(begin() + (__position - cbegin()), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, size_type, const value_type&) [with _Tp = meep::volume; _Alloc = std::allocator]', inlined from 'void std_vector_Sl_meep_volume_Sg__insert__SWIG_1(std::vector*, std::vector::iterator, std::vector::size_type, const std::vector::value_type&)' at meep-python.cxx:6490:242, inlined from 'PyObject* _wrap_VolumeVector_insert__SWIG_1(PyObject*, PyObject*)' at meep-python.cxx:15476:51, inlined from 'PyObject* _wrap_VolumeVector_insert(PyObject*, PyObject*)' at meep-python.cxx:15535:53: /usr/include/c++/13/bits/stl_vector.h:1440:23: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1440 | _M_fill_insert(begin() + __offset, __n, __x); | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator) [with _Tp = meep::volume; _Alloc = std::allocator]', inlined from 'std::vector::iterator std_vector_Sl_meep_volume_Sg__erase__SWIG_0(std::vector*, std::vector::iterator)' at meep-python.cxx:6487:190, inlined from 'PyObject* _wrap_VolumeVector_erase__SWIG_0(PyObject*, PyObject*)' at meep-python.cxx:14995:59, inlined from 'PyObject* _wrap_VolumeVector_erase(PyObject*, PyObject*)' at meep-python.cxx:15091:48: /usr/include/c++/13/bits/stl_vector.h:1535:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1535 | { return _M_erase(begin() + (__position - cbegin())); } | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = meep::volume; _Alloc = std::allocator]', inlined from 'std::vector::iterator std_vector_Sl_meep_volume_Sg__erase__SWIG_1(std::vector*, std::vector::iterator, std::vector::iterator)' at meep-python.cxx:6488:235, inlined from 'PyObject* _wrap_VolumeVector_erase__SWIG_1(PyObject*, PyObject*)' at meep-python.cxx:15056:59, inlined from 'PyObject* _wrap_VolumeVector_erase(PyObject*, PyObject*)' at meep-python.cxx:15108:50: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator) [with _Tp = meep::volume; _Alloc = std::allocator]', inlined from 'void swig::erase(Sequence*, const typename Sequence::iterator&) [with Sequence = std::vector]' at meep-python.cxx:5856:15, inlined from 'void std_vector_Sl_meep_volume_Sg____delitem____SWIG_0(std::vector*, std::vector::difference_type)' at meep-python.cxx:6425:18, inlined from 'PyObject* _wrap_VolumeVector___delitem____SWIG_0(PyObject*, PyObject*)' at meep-python.cxx:14043:58, inlined from 'PyObject* _wrap_VolumeVector___delitem__(PyObject*, PyObject*)' at meep-python.cxx:14285:54: /usr/include/c++/13/bits/stl_vector.h:1535:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1535 | { return _M_erase(begin() + (__position - cbegin())); } | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {meep::grid_volume}; _Tp = meep::grid_volume; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_insert_rval(const_iterator, value_type&&) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, value_type&&) [with _Tp = meep::grid_volume; _Alloc = std::allocator]' at /usr/include/c++/13/bits/stl_vector.h:1394:30, inlined from 'static void swig::IteratorProtocol::assign(PyObject*, Seq*) [with Seq = std::vector; T = meep::grid_volume]' at meep-python.cxx:6020:22, inlined from 'static int swig::traits_asptr_stdseq::asptr(PyObject*, sequence**) [with Seq = std::vector; T = meep::grid_volume]' at meep-python.cxx:6065:45: /usr/include/c++/13/bits/vector.tcc:370:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 370 | _M_insert_aux(begin() + __n, std::move(__v)); | ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc:372:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 372 | _M_realloc_insert(begin() + __n, std::move(__v)); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, const value_type&) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'std::vector::iterator std_vector_Sl_meep_grid_volume_Sg__insert__SWIG_0(std::vector*, std::vector::iterator, const std::vector::value_type&)' at meep-python.cxx:6598:266, inlined from 'PyObject* _wrap_GridVolumeVector_insert__SWIG_0(PyObject*, PyObject*)' at meep-python.cxx:17652:65, inlined from 'PyObject* _wrap_GridVolumeVector_insert(PyObject*, PyObject*)' at meep-python.cxx:17755:55: /usr/include/c++/13/bits/vector.tcc:162:28: note: parameter passing for argument of type 'const __gnu_cxx::__normal_iterator >' changed in GCC 7.1 162 | _M_insert_aux(__pos, std::move(__x_copy._M_val())); | ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc:170:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 170 | _M_realloc_insert(begin() + (__position - cbegin()), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, size_type, const value_type&) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'void std_vector_Sl_meep_grid_volume_Sg__insert__SWIG_1(std::vector*, std::vector::iterator, std::vector::size_type, const std::vector::value_type&)' at meep-python.cxx:6599:267, inlined from 'PyObject* _wrap_GridVolumeVector_insert__SWIG_1(PyObject*, PyObject*)' at meep-python.cxx:17718:56, inlined from 'PyObject* _wrap_GridVolumeVector_insert(PyObject*, PyObject*)' at meep-python.cxx:17777:57: /usr/include/c++/13/bits/stl_vector.h:1440:23: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1440 | _M_fill_insert(begin() + __offset, __n, __x); | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::resize(size_type, const value_type&) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'PyObject* _wrap_GridVolumeVector_resize__SWIG_1(PyObject*, PyObject*)' at meep-python.cxx:17541:21, inlined from 'PyObject* _wrap_GridVolumeVector_resize(PyObject*, PyObject*)' at meep-python.cxx:17593:55: /usr/include/c++/13/bits/stl_vector.h:1037:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1037 | _M_fill_insert(end(), __new_size - size(), __x); | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'std::vector::iterator std_vector_Sl_meep_grid_volume_Sg__erase__SWIG_0(std::vector*, std::vector::iterator)' at meep-python.cxx:6596:210, inlined from 'PyObject* _wrap_GridVolumeVector_erase__SWIG_0(PyObject*, PyObject*)' at meep-python.cxx:17122:64, inlined from 'PyObject* _wrap_GridVolumeVector_erase(PyObject*, PyObject*)' at meep-python.cxx:17218:52: /usr/include/c++/13/bits/stl_vector.h:1535:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1535 | { return _M_erase(begin() + (__position - cbegin())); } | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'std::vector::iterator std_vector_Sl_meep_grid_volume_Sg__erase__SWIG_1(std::vector*, std::vector::iterator, std::vector::iterator)' at meep-python.cxx:6597:260, inlined from 'PyObject* _wrap_GridVolumeVector_erase__SWIG_1(PyObject*, PyObject*)' at meep-python.cxx:17183:64, inlined from 'PyObject* _wrap_GridVolumeVector_erase(PyObject*, PyObject*)' at meep-python.cxx:17235:54: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator) [with _Tp = meep::grid_volume; _Alloc = std::allocator]', inlined from 'void swig::erase(Sequence*, const typename Sequence::iterator&) [with Sequence = std::vector]' at meep-python.cxx:5856:15, inlined from 'void std_vector_Sl_meep_grid_volume_Sg____delitem____SWIG_0(std::vector*, std::vector::difference_type)' at meep-python.cxx:6534:18, inlined from 'PyObject* _wrap_GridVolumeVector___delitem____SWIG_0(PyObject*, PyObject*)' at meep-python.cxx:16102:63, inlined from 'PyObject* _wrap_GridVolumeVector___delitem__(PyObject*, PyObject*)' at meep-python.cxx:16344:58: /usr/include/c++/13/bits/stl_vector.h:1535:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1535 | { return _M_erase(begin() + (__position - cbegin())); } | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {std::complex}; _Tp = std::complex; _Alloc = std::allocator >]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_insert_rval(const_iterator, value_type&&) [with _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, value_type&&) [with _Tp = std::complex; _Alloc = std::allocator >]' at /usr/include/c++/13/bits/stl_vector.h:1394:30, inlined from 'static void swig::IteratorProtocol::assign(PyObject*, Seq*) [with Seq = std::vector >; T = std::complex]' at meep-python.cxx:6020:22: /usr/include/c++/13/bits/vector.tcc:370:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 370 | _M_insert_aux(begin() + __n, std::move(__v)); | ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc:372:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 372 | _M_realloc_insert(begin() + __n, std::move(__v)); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, const value_type&) [with _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'std::vector >::iterator std_vector_Sl_std_complex_Sl_double_Sg__Sg__insert__SWIG_0(std::vector >*, std::vector >::iterator, const std::vector >::value_type&)' at meep-python.cxx:7461:295, inlined from 'PyObject* _wrap_ComplexVector_insert__SWIG_0(PyObject*, PyObject*)' at meep-python.cxx:143134:74, inlined from 'PyObject* _wrap_ComplexVector_insert(PyObject*, PyObject*)' at meep-python.cxx:143238:52: /usr/include/c++/13/bits/vector.tcc:162:28: note: parameter passing for argument of type 'const __gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 162 | _M_insert_aux(__pos, std::move(__x_copy._M_val())); | ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc:170:26: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 170 | _M_realloc_insert(begin() + (__position - cbegin()), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, size_type, const value_type&) [with _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'void std_vector_Sl_std_complex_Sl_double_Sg__Sg__insert__SWIG_1(std::vector >*, std::vector >::iterator, std::vector >::size_type, const std::vector >::value_type&)' at meep-python.cxx:7462:296, inlined from 'PyObject* _wrap_ComplexVector_insert__SWIG_1(PyObject*, PyObject*)' at meep-python.cxx:143199:65, inlined from 'PyObject* _wrap_ComplexVector_insert(PyObject*, PyObject*)' at meep-python.cxx:143262:54: /usr/include/c++/13/bits/stl_vector.h:1440:23: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 1440 | _M_fill_insert(begin() + __offset, __n, __x); | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::resize(size_type, const value_type&) [with _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'PyObject* _wrap_ComplexVector_resize__SWIG_1(PyObject*, PyObject*)' at meep-python.cxx:143022:21, inlined from 'PyObject* _wrap_ComplexVector_resize(PyObject*, PyObject*)' at meep-python.cxx:143076:52: /usr/include/c++/13/bits/stl_vector.h:1037:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 1037 | _M_fill_insert(end(), __new_size - size(), __x); | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator) [with _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'std::vector >::iterator std_vector_Sl_std_complex_Sl_double_Sg__Sg__erase__SWIG_0(std::vector >*, std::vector >::iterator)' at meep-python.cxx:7459:234, inlined from 'PyObject* _wrap_ComplexVector_erase__SWIG_0(PyObject*, PyObject*)' at meep-python.cxx:142605:73, inlined from 'PyObject* _wrap_ComplexVector_erase(PyObject*, PyObject*)' at meep-python.cxx:142701:49: /usr/include/c++/13/bits/stl_vector.h:1535:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 1535 | { return _M_erase(begin() + (__position - cbegin())); } | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'std::vector >::iterator std_vector_Sl_std_complex_Sl_double_Sg__Sg__erase__SWIG_1(std::vector >*, std::vector >::iterator, std::vector >::iterator)' at meep-python.cxx:7460:289, inlined from 'PyObject* _wrap_ComplexVector_erase__SWIG_1(PyObject*, PyObject*)' at meep-python.cxx:142666:73, inlined from 'PyObject* _wrap_ComplexVector_erase(PyObject*, PyObject*)' at meep-python.cxx:142718:51: /usr/include/c++/13/bits/stl_vector.h:1566:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 1566 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator) [with _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'void swig::erase(Sequence*, const typename Sequence::iterator&) [with Sequence = std::vector >]' at meep-python.cxx:5856:15, inlined from 'void std_vector_Sl_std_complex_Sl_double_Sg__Sg____delitem____SWIG_0(std::vector >*, std::vector >::difference_type)' at meep-python.cxx:7397:18, inlined from 'PyObject* _wrap_ComplexVector___delitem____SWIG_0(PyObject*, PyObject*)' at meep-python.cxx:141585:72, inlined from 'PyObject* _wrap_ComplexVector___delitem__(PyObject*, PyObject*)' at meep-python.cxx:141827:55: /usr/include/c++/13/bits/stl_vector.h:1535:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 1535 | { return _M_erase(begin() + (__position - cbegin())); } | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ libtool: compile: arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c meep-python.cxx -fPIC -DPIC -o _meep_la-meep-python.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: arm-linux-gnueabihf-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf/crti.o /usr/lib/gcc/arm-linux-gnueabihf/13/crtbeginS.o .libs/_meep_la-meep-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.25.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/arm-linux-gnueabihf/13/crtendS.o /usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -Wl,-soname -Wl,_meep.so.30 -o .libs/_meep.so.30.0.0 libtool: link: (cd ".libs" && rm -f "_meep.so.30" && ln -s "_meep.so.30.0.0" "_meep.so.30") libtool: link: (cd ".libs" && rm -f "_meep.so" && ln -s "_meep.so.30.0.0" "_meep.so") libtool: link: arm-linux-gnueabihf-ar cr .libs/_meep.a _meep_la-meep-python.o libtool: link: arm-linux-gnueabihf-ranlib .libs/_meep.a libtool: link: ( cd ".libs" && rm -f "_meep.la" && ln -s "../_meep.la" "_meep.la" ) mkdir -p meep/adjoint cp __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py .libs/_meep.so meep cp ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/wrapper.py ./adjoint/utils.py meep/adjoint mkdir -p meep/mpb cp .libs/_mpb.so meep/mpb cp ./mpb.py meep/mpb/__init__.py cp ./solver.py ./mpb_data.py meep/mpb make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[3]: Entering directory '/build/reproducible-path/meep-1.25.0' cp -f ./meep-pkgconfig meep.pc make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0' make[2]: Leaving directory '/build/reproducible-path/meep-1.25.0' make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' echo armhf armhf if [ "armhf" = "armel" ] || \ [ "armhf" = "riscv64" ] || \ [ "armhf" = "hurd-i386" ] ; then \ echo "Do not make tests on this architecture" ;\ else \ echo "Do make tests on this architecture" ;\ make check; \ find; \ cat python/test-suite.log; \ fi Do make tests on this architecture make[2]: Entering directory '/build/reproducible-path/meep-1.25.0' Making check in src make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make check-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' Making check in support make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Nothing to be done for 'check'. make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make[5]: Nothing to be done for 'check-am'. make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' Making check in tests make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make aniso_disp bench bragg_transmission convergence_cyl_waveguide cylindrical dump_load flux harmonics integrate known_results near2far one_dimensional physical stress_tensor symmetry three_d two_dimensional 2D_convergence h5test pml pw-source-ll ring-ll cyl-ellipsoid-ll absorber-1d-ll array-slice-ll user-defined-material dft-fields gdsII-3d bend-flux-ll array-metadata make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o aniso_disp.o aniso_disp.cpp /bin/bash ../libtool --tag=CXX --mode=link arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o aniso_disp aniso_disp.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm 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cylindrical.cpp /bin/bash ../libtool --tag=CXX --mode=link arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o cylindrical cylindrical.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial 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[with _Args = {std::complex}; _Tp = std::complex; _Alloc = std::allocator >]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::reference std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::complex}; _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = std::complex; _Alloc = std::allocator >]' at /usr/include/c++/13/bits/stl_vector.h:1299:21, inlined from 'int main(int, char**)' at ring-ll.cpp:112:24: /usr/include/c++/13/bits/vector.tcc:123:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=link arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o ring-ll ring-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack 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arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o cyl-ellipsoid-ll.o cyl-ellipsoid-ll.cpp /bin/bash ../libtool --tag=CXX --mode=link arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o cyl-ellipsoid-ll cyl-ellipsoid-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf 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-D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o absorber-1d-ll.o absorber-1d-ll.cpp /bin/bash ../libtool --tag=CXX --mode=link arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o absorber-1d-ll absorber-1d-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o .libs/absorber-1d-ll absorber-1d-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o array-slice-ll.o array-slice-ll.cpp In file included from /usr/include/c++/13/vector:72, from array-slice-ll.cpp:5: /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double&, double&}; _Tp = std::complex; _Alloc = std::allocator >]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {std::complex&}; _Tp = std::complex; _Alloc = std::allocator >]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector >::iterator' changed in GCC 7.1 In member function 'std::vector<_Tp, _Alloc>::reference std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double&, double&}; _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'int main(int, char**)' at array-slice-ll.cpp:218:32: /usr/include/c++/13/bits/vector.tcc:123:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'std::vector<_Tp, _Alloc>::reference std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::complex&}; _Tp = std::complex; _Alloc = std::allocator >]', inlined from 'int main(int, char**)' at array-slice-ll.cpp:236:35: /usr/include/c++/13/bits/vector.tcc:123:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator*, std::vector > >' changed in GCC 7.1 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=link arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o array-slice-ll array-slice-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf 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-I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o dft-fields.o dft-fields.cpp /bin/bash ../libtool --tag=CXX --mode=link arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o dft-fields dft-fields.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: arm-linux-gnueabihf-g++ -g -O2 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-Werror=format-security -Wall -W -c -o gdsII-3d.o gdsII-3d.cpp /bin/bash ../libtool --tag=CXX --mode=link arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o gdsII-3d gdsII-3d.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now 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-ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o bend-flux-ll bend-flux-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o .libs/bend-flux-ll bend-flux-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm arm-linux-gnueabihf-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -D_TIME_BITS=64 -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -c -o array-metadata.o array-metadata.cpp In file included from /usr/include/c++/13/vector:72, from array-metadata.cpp:8: /usr/include/c++/13/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]': /usr/include/c++/13/bits/vector.tcc:445:7: note: parameter passing for argument of type 'std::vector::iterator' changed in GCC 7.1 445 | vector<_Tp, _Alloc>:: | ^~~~~~~~~~~~~~~~~~~ In file included from /usr/include/c++/13/vector:66: In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]', inlined from 'bool test_array_metadata(meep::fields&, const meep::volume&)' at array-metadata.cpp:89:24: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]', inlined from 'bool test_array_metadata(meep::fields&, const meep::volume&)' at array-metadata.cpp:92:22: /usr/include/c++/13/bits/stl_vector.h:1292:28: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator >' changed in GCC 7.1 1292 | _M_realloc_insert(end(), __x); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=link arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o array-metadata array-metadata.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o .libs/array-metadata array-metadata.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' make check-TESTS make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' PASS: aniso_disp PASS: bench PASS: bragg_transmission PASS: convergence_cyl_waveguide PASS: cylindrical PASS: dump_load PASS: flux PASS: harmonics PASS: integrate PASS: known_results PASS: near2far PASS: one_dimensional PASS: physical PASS: stress_tensor PASS: symmetry PASS: three_d PASS: two_dimensional PASS: 2D_convergence PASS: h5test PASS: pml PASS: cyl-ellipsoid-ll PASS: array-slice-ll PASS: ring-ll ============================================================================ Testsuite summary for meep 1.25.0 ============================================================================ # TOTAL: 23 # PASS: 23 # SKIP: 0 # XFAIL: 0 # FAIL: 0 # XPASS: 0 # ERROR: 0 ============================================================================ make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' Making check in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' make check-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' make[4]: Nothing to be done for 'check-am'. make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' Making check in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' make[3]: Nothing to be done for 'check'. make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/libpympb' Making check in python make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make check-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make check-TESTS make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make[6]: Entering directory '/build/reproducible-path/meep-1.25.0/python' PASS: tests/test_3rd_harm_1d.py PASS: tests/test_absorber_1d.py FAIL: tests/test_adjoint_solver.py FAIL: tests/test_adjoint_utils.py FAIL: tests/test_adjoint_cyl.py FAIL: tests/test_adjoint_jax.py PASS: tests/test_antenna_radiation.py PASS: tests/test_array_metadata.py PASS: tests/test_bend_flux.py FAIL: tests/test_binary_partition_utils.py FAIL: tests/test_binary_grating.py PASS: tests/test_cavity_arrayslice.py PASS: tests/test_cavity_farfield.py FAIL: tests/test_chunk_balancer.py PASS: tests/test_chunk_layout.py PASS: tests/test_chunks.py PASS: tests/test_conductivity.py PASS: tests/test_cyl_ellipsoid.py PASS: tests/test_dft_energy.py PASS: tests/test_dft_fields.py PASS: tests/test_diffracted_planewave.py PASS: tests/test_dispersive_eigenmode.py PASS: tests/test_divide_mpi_processes.py PASS: tests/test_dump_load.py PASS: tests/test_eigfreq.py PASS: tests/test_faraday_rotation.py PASS: tests/test_field_functions.py PASS: tests/test_force.py PASS: tests/test_fragment_stats.py PASS: tests/test_gaussianbeam.py PASS: tests/test_geom.py PASS: tests/test_get_point.py FAIL: tests/test_get_epsilon_grid.py PASS: tests/test_holey_wvg_bands.py PASS: tests/test_holey_wvg_cavity.py PASS: tests/test_integrated_source.py PASS: tests/test_kdom.py PASS: tests/test_ldos.py PASS: tests/test_material_dispersion.py FAIL: tests/test_material_grid.py PASS: tests/test_materials_library.py PASS: tests/test_medium_evaluations.py FAIL: tests/test_mpb.py PASS: tests/test_mode_coeffs.py PASS: tests/test_mode_decomposition.py PASS: tests/test_multilevel_atom.py PASS: tests/test_n2f_periodic.py PASS: tests/test_oblique_source.py PASS: tests/test_physical.py PASS: tests/test_prism.py PASS: tests/test_pw_source.py FAIL: tests/test_refl_angular.py PASS: tests/test_ring.py PASS: tests/test_ring_cyl.py PASS: tests/test_simulation.py FAIL: tests/test_special_kz.py PASS: tests/test_source.py PASS: tests/test_timing_measurements.py PASS: tests/test_user_defined_material.py PASS: tests/test_visualization.py PASS: tests/test_wvg_src.py ============================================================================ Testsuite summary for meep 1.25.0 ============================================================================ # TOTAL: 61 # PASS: 49 # SKIP: 0 # XFAIL: 0 # FAIL: 12 # XPASS: 0 # ERROR: 0 ============================================================================ See python/test-suite.log ============================================================================ make[6]: *** [Makefile:1119: test-suite.log] Error 1 make[6]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[5]: *** [Makefile:1227: check-TESTS] Error 2 make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[4]: *** [Makefile:1292: check-am] Error 2 make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[3]: *** [Makefile:1294: check] Error 2 make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[2]: *** [Makefile:518: check-recursive] Error 1 make[2]: Leaving directory '/build/reproducible-path/meep-1.25.0' . ./config.h.in ./config.h ./meep-pkgconfig.in ./.mailmap 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./python/tests/test_mpb.py ./python/tests/test_dump_load.trs ./python/tests/test_chunk_balancer.trs ./python/tests/test_multilevel_atom.trs ./python/tests/test_physical.log ./python/tests/test_prism.py ./python/mpb.py ./python/materials.py ./python/typemap_utils.cpp ./python/solver.py ./python/_meep_la-meep-python.lo ./python/meep.py ./python/source.py ./python/test-suite.log ./python/Makefile.in ./python/visualization.py ./python/mpb.i ./python/_mpb_la-mpb-python.o ./python/geom.py ./python/meep ./python/meep/verbosity_mgr.py ./python/meep/simulation.py ./python/meep/chunk_balancer.py ./python/meep/adjoint ./python/meep/adjoint/utils.py ./python/meep/adjoint/connectivity.py ./python/meep/adjoint/objective.py ./python/meep/adjoint/wrapper.py ./python/meep/adjoint/optimization_problem.py ./python/meep/adjoint/filter_source.py ./python/meep/adjoint/__init__.py ./python/meep/adjoint/basis.py ./python/meep/adjoint/filters.py ./python/meep/adjoint/__pycache__ ./python/meep/adjoint/__pycache__/__init__.cpython-312.pyc ./python/meep/adjoint/__pycache__/optimization_problem.cpython-312.pyc ./python/meep/adjoint/__pycache__/objective.cpython-312.pyc ./python/meep/adjoint/__pycache__/basis.cpython-312.pyc ./python/meep/adjoint/__pycache__/filter_source.cpython-312.pyc ./python/meep/adjoint/__pycache__/utils.cpython-312.pyc ./python/meep/timing_measurements.py ./python/meep/materials.py ./python/meep/source.py ./python/meep/mpb ./python/meep/mpb/mpb_data.py ./python/meep/mpb/solver.py ./python/meep/mpb/_mpb.so ./python/meep/mpb/__init__.py ./python/meep/mpb/__pycache__ ./python/meep/mpb/__pycache__/solver.cpython-312.pyc ./python/meep/mpb/__pycache__/__init__.cpython-312.pyc ./python/meep/mpb/__pycache__/mpb_data.cpython-312.pyc ./python/meep/visualization.py ./python/meep/geom.py ./python/meep/__init__.py ./python/meep/_meep.so ./python/meep/binary_partition_utils.py ./python/meep/__pycache__ ./python/meep/__pycache__/materials.cpython-312.pyc ./python/meep/__pycache__/verbosity_mgr.cpython-312.pyc ./python/meep/__pycache__/__init__.cpython-312.pyc ./python/meep/__pycache__/simulation.cpython-312.pyc ./python/meep/__pycache__/visualization.cpython-312.pyc ./python/meep/__pycache__/source.cpython-312.pyc ./python/meep/__pycache__/geom.cpython-312.pyc ./python/meep/__pycache__/timing_measurements.cpython-312.pyc ./python/meep/__pycache__/binary_partition_utils.cpython-312.pyc ./python/meep-python.hpp ./python/.libs ./python/.libs/_meep_la-meep-python.o ./python/.libs/_mpb.a ./python/.libs/_meep.la ./python/.libs/_meep.lai ./python/.libs/_mpb.so.30.0.0 ./python/.libs/_mpb.so ./python/.libs/_meep.so.30.0.0 ./python/.libs/_meep.so.30 ./python/.libs/_mpb.lai ./python/.libs/_meep.a ./python/.libs/_mpb_la-mpb-python.o ./python/.libs/_mpb.so.30 ./python/.libs/_meep.so ./python/.libs/_mpb.la ./python/Makefile.am ./python/meep-python.cxx ./python/__init__.py ./python/mpb-python.cxx ./python/_mpb_la-mpb-python.lo ./python/_mpb.la ./python/numpy.i ./python/binary_partition_utils.py ./python/examples ./python/examples/cylinder_cross_section.py ./python/examples/antenna_pec_ground_plane.py ./python/examples/mpb_tutorial.py ./python/examples/holey-wvg-bands.py ./python/examples/mpb_hole_slab.py ./python/examples/perturbation_theory.ipynb ./python/examples/oblique-planewave.py ./python/examples/mpb_diamond.py ./python/examples/metasurface_lens.py ./python/examples/cavity-farfield.py ./python/examples/zone_plate.ipynb ./python/examples/refl-angular.ipynb ./python/examples/stochastic_emitter_line.py ./python/examples/holey-wvg-cavity.py ./python/examples/solve-cw.ipynb ./python/examples/cherenkov-radiation.py ./python/examples/coupler.ipynb ./python/examples/zone_plate.py ./python/examples/mode-decomposition.py ./python/examples/perturbation_theory.py ./python/examples/refl-angular.py ./python/examples/binary_grating_oblique.py ./python/examples/mode-decomposition.ipynb ./python/examples/binary_grating.py ./python/examples/parallel-wvgs-force.py ./python/examples/binary_grating.ipynb ./python/examples/finite_grating.ipynb ./python/examples/solve-cw.py ./python/examples/metal-cavity-ldos.ipynb ./python/examples/faraday-rotation.py ./python/examples/eps_fit_lorentzian.py ./python/examples/ring.py ./python/examples/ring_gds.py ./python/examples/diffracted_planewave.py ./python/examples/cylinder_cross_section.ipynb ./python/examples/mpb_bragg_sine.py ./python/examples/binary_grating_oblique.ipynb ./python/examples/refl-quartz.ipynb ./python/examples/README.md ./python/examples/antenna-radiation.ipynb ./python/examples/straight-waveguide.py ./python/examples/finite_grating.py ./python/examples/ring-cyl.py ./python/examples/mpb_sq_rods.py ./python/examples/perturbation_theory_2d.py ./python/examples/mpb_tri_holes.py ./python/examples/adjoint_optimization ./python/examples/adjoint_optimization/01-Introduction.ipynb ./python/examples/adjoint_optimization/05-Near2Far.ipynb ./python/examples/adjoint_optimization/06-Near2Far-Epigraph.ipynb ./python/examples/adjoint_optimization/Fourier-Bend.ipynb ./python/examples/adjoint_optimization/Fourier-Metalens.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints ./python/examples/adjoint_optimization/.ipynb_checkpoints/06-Near2Far-Epigraph-checkpoint.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints/Bend Minimax-checkpoint.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints/04-Splitter-checkpoint.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints/03-Filtered_Waveguide_Bend-checkpoint.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints/02-Waveguide_Bend-checkpoint.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints/01-Introduction-checkpoint.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints/05-Near2Far-checkpoint.ipynb ./python/examples/adjoint_optimization/02-Waveguide_Bend.ipynb ./python/examples/adjoint_optimization/03-Filtered_Waveguide_Bend.ipynb ./python/examples/adjoint_optimization/04-Splitter.ipynb ./python/examples/adjoint_optimization/Bend Minimax.ipynb ./python/examples/metal-cavity-ldos.py ./python/examples/holey-wvg-bands.ipynb ./python/examples/coupler.gds ./python/examples/mpb_bragg.py ./python/examples/absorber-1d.py ./python/examples/mpb_tri_rods.py ./python/examples/parallel-wvgs-mpb.py ./python/examples/antenna-radiation.py ./python/examples/straight-waveguide.ipynb ./python/examples/3rd-harm-1d.py ./python/examples/binary_grating_n2f.ipynb ./python/examples/absorbed_power_density.ipynb ./python/examples/polarization_grating.ipynb ./python/examples/mpb_strip.py ./python/examples/stochastic_emitter.py ./python/examples/gaussian-beam.py ./python/examples/ring.ipynb ./python/examples/cyl-ellipsoid.py ./python/examples/binary_grating_n2f.py ./python/examples/oblique-planewave.ipynb ./python/examples/grating2d_triangular_lattice.py ./python/examples/stochastic_emitter_reciprocity.py ./python/examples/parallel-wvgs-force.ipynb ./python/examples/planar_cavity_ldos.py ./python/examples/bent-waveguide.ipynb ./python/examples/bend-flux.ipynb ./python/examples/holey-wvg-cavity.ipynb ./python/examples/cavity_arrayslice.py ./python/examples/absorbed_power_density.py ./python/examples/binary_grating_phasemap.py ./python/examples/differential_cross_section.ipynb ./python/examples/refl-angular-kz2d.py ./python/examples/mpb_data_analysis.py ./python/examples/extraction_eff_ldos.py ./python/examples/binary_grating_phasemap.ipynb ./python/examples/bend-flux.py ./python/examples/mie_scattering.ipynb ./python/examples/polarization_grating.py ./python/examples/metasurface_lens.ipynb ./python/examples/mie_scattering.py ./python/examples/pw-source.py ./python/examples/differential_cross_section.py ./python/examples/mpb_honey_rods.py ./python/examples/chirped_pulse.py ./python/examples/bent-waveguide.py ./python/examples/oblique-source.ipynb ./python/examples/material-dispersion.py ./python/examples/3rd-harm-1d.ipynb ./python/examples/coupler.py ./python/examples/__pycache__ ./python/examples/__pycache__/mpb_sq_rods.cpython-312.pyc ./python/examples/__pycache__/mpb_strip.cpython-312.pyc ./python/examples/__pycache__/mpb_tri_rods.cpython-312.pyc ./python/examples/__pycache__/mpb_honey_rods.cpython-312.pyc ./python/examples/__pycache__/mpb_hole_slab.cpython-312.pyc ./python/examples/__pycache__/mpb_bragg_sine.cpython-312.pyc ./python/examples/__pycache__/mpb_tri_holes.cpython-312.pyc ./python/examples/__pycache__/mpb_line_defect.cpython-312.pyc ./python/examples/__pycache__/mpb_diamond.cpython-312.pyc ./python/examples/__pycache__/mpb_bragg.cpython-312.pyc ./python/examples/oblique-source.py ./python/examples/ring-mode-overlap.py ./python/examples/cavity-farfield.ipynb ./python/examples/media ./python/examples/media/ring_large.mp4 ./python/examples/media/holey-wvg-bands-0.1-0.4811.mp4 ./python/examples/media/hole-wvg-cavity-res.mp4 ./python/examples/media/oblique-source-eig.mp4 ./python/examples/media/visualization_out_plane.mp4 ./python/examples/media/visualization_normalize.mp4 ./python/examples/media/oblique-source-normal.mp4 ./python/examples/media/holey-wvg-bands-0.4-0.1896.mp4 ./python/examples/media/bent_waveguide.mp4 ./python/examples/media/hole-wvg-cavity.mp4 ./python/examples/media/holey-wvg-bands-0.4-0.3175.mp4 ./python/examples/media/visualization_demo.gif ./python/examples/media/visualization_demo.mp4 ./python/examples/media/ring_simple.mp4 ./python/examples/media/ring_mid.mp4 ./python/examples/media/holey-wvg-bands-0.25-0.2506.mp4 ./python/examples/media/holey-wvg-bands-0.3-0.8838.mp4 ./python/examples/media/straight_waveguide.mp4 ./python/examples/phase_in_material.py ./python/examples/stochastic_emitter.ipynb ./python/examples/multilevel-atom.py ./python/examples/refl-quartz.py ./python/examples/mpb_line_defect.py ./python/examples/wvg-src.py ./python/vec.i ./python/Makefile ./README.md ./depcomp ./monkeytype.sqlite3 ./contrib ./contrib/build-meep.sh ./libtool ./Makefile.in ./TODO ./config.status ./install-sh ./missing ./COPYRIGHT ./scheme ./scheme/meep-ctl-swig.hpp ./scheme/meep.scm ./scheme/meep_swig_bug_workaround.i ./scheme/meep.scm.in ./scheme/meep.i ./scheme/meep_wrap.cxx ./scheme/casimir.scm ./scheme/ctl-io.h ./scheme/meep-ctl-io.o ./scheme/geom.cpp ./scheme/structure.cpp ./scheme/meep-ctl-const.hpp ./scheme/meep-meep_wrap.o ./scheme/meep-main.o ./scheme/meep-ctl.hpp ./scheme/meep_wrap.cxx.bak ./scheme/Makefile.in ./scheme/meep-structure.o ./scheme/meep_op_renames.i ./scheme/meep-geom.o ./scheme/materials.scm ./scheme/meep_renames.i ./scheme/meep-meep.o ./scheme/meep_wrap.cxx.orig ./scheme/ctl-io.cpp ./scheme/main.cpp ./scheme/meep ./scheme/ctl-io.i ./scheme/.libs ./scheme/.libs/meep ./scheme/Makefile.am ./scheme/meep_wrap.patch ./scheme/meep-enums.scm ./scheme/examples ./scheme/examples/cylinder-cross-section.ctl ./scheme/examples/mode-decomposition.ctl ./scheme/examples/metasurface_lens_phasemap.ctl ./scheme/examples/ring.ctl ./scheme/examples/mode-coeffs.ctl ./scheme/examples/metal-cavity-ldos.ctl ./scheme/examples/oblique-planewave.ctl ./scheme/examples/cavity-farfield.ctl ./scheme/examples/straight-waveguide.ctl ./scheme/examples/cherenkov-radiation.ctl ./scheme/examples/antenna-radiation.ctl ./scheme/examples/polarization_grating.ctl ./scheme/examples/mie-scattering.ctl ./scheme/examples/refl-angular-kz2d.ctl ./scheme/examples/refl-angular.ctl ./scheme/examples/holey-wvg-bands.ctl ./scheme/examples/finite_grating.ctl ./scheme/examples/binary_grating.ctl ./scheme/examples/refl-quartz.ctl ./scheme/examples/oblique-source.ctl ./scheme/examples/holey-wvg-cavity.ctl ./scheme/examples/parallel-wvgs-force.ctl ./scheme/examples/faraday-rotation.ctl ./scheme/examples/pw-source.ctl ./scheme/examples/stochastic-emitter.ctl ./scheme/examples/metasurface_lens_farfield.ctl ./scheme/examples/3rd-harm-1d.ctl ./scheme/examples/group-velocity.ctl ./scheme/examples/binary_grating_n2f.ctl ./scheme/examples/chirped-pulse.ctl ./scheme/examples/parallel-wvgs-mpb.ctl ./scheme/examples/wvg_src.ctl ./scheme/examples/binary_grating_phasemap.ctl ./scheme/examples/multilevel-atom.ctl ./scheme/examples/bent-waveguide.ctl ./scheme/examples/ring-cyl.ctl ./scheme/examples/bend-flux.ctl ./scheme/examples/material-dispersion.ctl ./scheme/examples/perturbation-theory.ctl ./scheme/examples/differential-cross-section.ctl ./scheme/examples/solve-cw.ctl ./scheme/examples/binary_grating_oblique.ctl ./scheme/examples/zone-plate.ctl ./scheme/examples/perturbation-theory-2d.ctl ./scheme/examples/gaussian-beam.ctl ./scheme/examples/absorbed-power-density.ctl ./scheme/meep_enum_renames.i ./scheme/meep.cpp ./scheme/Makefile ./configure.ac ./.clang-format ./meep.pc ./stamp-h1 ./libpympb ./libpympb/pympb.cpp ./libpympb/libpympb_la-pympb.lo ./libpympb/libpympb.la ./libpympb/libpympb_la-pympb.o ./libpympb/Makefile.in ./libpympb/pympb.hpp ./libpympb/.libs ./libpympb/.libs/libpympb.a ./libpympb/.libs/libpympb.la ./libpympb/.libs/libpympb_la-pympb.o ./libpympb/.libs/libpympb.so.30 ./libpympb/.libs/libpympb.so.30.0.0 ./libpympb/.libs/libpympb.lai ./libpympb/.libs/libpympb.so ./libpympb/Makefile.am ./libpympb/Makefile ./index.md ./Makefile.am ./compile ./.pre-commit-config.yaml ./config.log ./version.sh ./aclocal.m4 ./meep-pkgconfig ./Makefile ./.gitignore ./config.guess ======================================== meep 1.25.0: python/test-suite.log ======================================== # TOTAL: 61 # PASS: 49 # SKIP: 0 # XFAIL: 0 # FAIL: 12 # XPASS: 0 # ERROR: 0 .. contents:: :depth: 2 FAIL: tests/test_adjoint_solver =============================== Matplotlib created a temporary config/cache directory at /tmp/matplotlib-1yr5o4n0 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_solver.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_solver.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.8476 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== Matplotlib created a temporary config/cache directory at /tmp/matplotlib-p5ilkg1w because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_utils.py", line 11, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_utils.py", line 13, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.7695 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ Matplotlib created a temporary config/cache directory at /tmp/matplotlib-pugu34_h because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_cyl.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_cyl.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.7654 s FAIL tests/test_adjoint_cyl.py (exit status: 1) FAIL: tests/test_adjoint_jax ============================ Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_jax.py", line 3, in import jax ModuleNotFoundError: No module named 'jax' FAIL tests/test_adjoint_jax.py (exit status: 1) FAIL: tests/test_binary_partition_utils ======================================= Matplotlib created a temporary config/cache directory at /tmp/matplotlib-da8_ya3r because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_binary_partition_utils.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0085 s FAIL tests/test_binary_partition_utils.py (exit status: 1) FAIL: tests/test_binary_grating =============================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_binary_grating.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_binary_grating.py (exit status: 1) FAIL: tests/test_chunk_balancer =============================== Matplotlib created a temporary config/cache directory at /tmp/matplotlib-osm0wk2d because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_chunk_balancer.py", line 5, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0018 s FAIL tests/test_chunk_balancer.py (exit status: 1) FAIL: tests/test_get_epsilon_grid ================================= Matplotlib created a temporary config/cache directory at /tmp/matplotlib-u2qtcre2 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_get_epsilon_grid.py", line 3, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.7578 s FAIL tests/test_get_epsilon_grid.py (exit status: 1) FAIL: tests/test_material_grid ============================== Matplotlib created a temporary config/cache directory at /tmp/matplotlib-5kh9s8cu because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_material_grid.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_material_grid.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.7631 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== Matplotlib created a temporary config/cache directory at /tmp/matplotlib-je27hw7c because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. /tmp/meepW1wGQn/test_anisotropic_2d_gap-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.3, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0049915313720703125 solve_kpoint (0,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6, band 7, band 8 Solving for bands 3 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 10.77194213866503 (192.122% change) linmin: converged after 7 iterations. iteration 2: trace = 3.075497292525781 (111.161% change) linmin: converged after 5 iterations. iteration 3: trace = 1.716684762653638 (56.7096% change) linmin: converged after 7 iterations. iteration 4: trace = 1.22742070896944 (33.2369% change) linmin: converged after 5 iterations. iteration 5: trace = 1.060832724595353 (14.5603% change) linmin: converged after 6 iterations. iteration 6: trace = 0.9599758521139445 (9.98183% change) linmin: converged after 5 iterations. iteration 7: trace = 0.9092404002199399 (5.42853% change) linmin: converged after 5 iterations. iteration 8: trace = 0.8807679450960084 (3.18127% change) linmin: converged after 4 iterations. iteration 9: trace = 0.862779742049764 (2.0634% change) linmin: converged after 5 iterations. iteration 10: trace = 0.8516588552686728 (1.29732% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8438574996293652 (0.920234% change) linmin: converged after 4 iterations. iteration 12: trace = 0.839451679859933 (0.523471% change) linmin: converged after 5 iterations. iteration 13: trace = 0.8366290692502862 (0.336811% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8347678523810185 (0.222714% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8337466495478013 (0.122409% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8330292235347967 (0.0860855% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8325947181532122 (0.0521733% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8323092192026635 (0.0342961% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8321766146417139 (0.0159334% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8321119589360784 (0.00776977% change) linmin: converged after 5 iterations. iteration 21: trace = 0.8320745163302461 (0.00449981% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8320513170030415 (0.00278817% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8320378597035327 (0.00161738% change) linmin: converged after 5 iterations. iteration 24: trace = 0.8320296693273974 (0.00098438% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8320254490102724 (0.000507233% change) linmin: converged after 5 iterations. iteration 26: trace = 0.8320231011390569 (0.000282188% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8320218176827509 (0.000154257% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8320210651241204 (9.04494e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8320205764596377 (5.87322e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8320203215435755 (3.06382e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 0.8320202068520524 (1.37847e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320201439104652 (7.56491e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8320201056779525 (4.59514e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8320200829981776 (2.72587e-06% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8320200693467557 (1.64076e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 0.832020063602158 (6.9044e-07% change) linmin: converged after 2 iterations. iteration 37: trace = 0.8320200604495419 (3.78911e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 0.8320200588885468 (1.87615e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 0.8320200580360231 (1.02464e-07% change) linmin: converged after 8 iterations. iteration 40: trace = 0.8320200576147323 (5.06347e-08% change) linmin: converged after 2 iterations. iteration 41: trace = 0.8320200574061558 (2.50687e-08% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8320200572926038 (1.36478e-08% change) linmin: converged after 2 iterations. iteration 43: trace = 0.832020057231602 (7.33177e-09% change) linmin: converged after 3 iterations. iteration 44: trace = 0.8320200571981603 (4.01934e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 0.832020057176209 (2.63832e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8320200571625966 (1.63606e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 0.8320200571545794 (9.63589e-10% change) linmin: converged after 4 iterations. iteration 48: trace = 0.8320200571500203 (5.47959e-10% change) linmin: converged after 3 iterations. iteration 49: trace = 0.8320200571472438 (3.33699e-10% change) linmin: converged after 6 iterations. iteration 50: trace = 0.8320200571454078 (2.20665e-10% change) linmin: converged after 6 iterations. iteration 51: trace = 0.8320200571444554 (1.14476e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 0.8320200571439157 (6.48638e-11% change) Finished solving for bands 3 to 8 after 52 iterations. freqs:, 1, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 elapsed time for k point: 0.2986288070678711 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8411857073592415 (1.48851% change) linmin: converged after 7 iterations. iteration 2: trace = 0.8364158268933798 (0.568655% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8353099576187398 (0.132303% change) linmin: converged after 6 iterations. iteration 4: trace = 0.8342493413728722 (0.127053% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8327506867259742 (0.179803% change) linmin: converged after 5 iterations. iteration 6: trace = 0.8318022392489411 (0.113958% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8313248193316994 (0.0574123% change) linmin: converged after 11 iterations. iteration 8: trace = 0.8309940498476491 (0.0397962% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8307771087571147 (0.0261096% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8306786824007819 (0.0118482% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8306204188776773 (0.00701421% change) linmin: converged after 3 iterations. iteration 12: trace = 0.830583149803788 (0.004487% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8305591613821788 (0.00288818% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8305450047310887 (0.00170449% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8305386872319618 (0.000760648% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8305355879463157 (0.000373166% change) linmin: converged after 5 iterations. iteration 17: trace = 0.8305341210791699 (0.000176617% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8305331675841388 (0.000114805% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8305325811294377 (7.06119e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8305322746123462 (3.69061e-05% change) linmin: converged after 7 iterations. iteration 21: trace = 0.830532091674842 (2.20265e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8305320019893494 (1.07986e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 0.8305319557055999 (5.57278e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8305319292924488 (3.18027e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.830531916109247 (1.58732e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8305319042197311 (1.43155e-06% change) linmin: converged after 10 iterations. iteration 27: trace = 0.8305318965921991 (9.18391e-07% change) linmin: converged after 5 iterations. iteration 28: trace = 0.8305318905537222 (7.27061e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8305318875556126 (3.60987e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8305318858786972 (2.01909e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8305318849630969 (1.10243e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 0.830531884553331 (4.93378e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 0.8305318842111979 (4.11945e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8305318840358367 (2.11143e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8305318839403608 (1.14957e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8305318839001317 (4.84378e-09% change) linmin: converged after 24 iterations. iteration 37: trace = 0.8305318838746911 (3.06316e-09% change) linmin: converged after 9 iterations. iteration 38: trace = 0.8305318838577102 (2.04459e-09% change) linmin: converged after 16 iterations. iteration 39: trace = 0.8305318838472698 (1.25706e-09% change) linmin: converged after 4 iterations. iteration 40: trace = 0.8305318838419782 (6.37141e-10% change) linmin: converged after 2 iterations. iteration 41: trace = 0.8305318838394063 (3.09661e-10% change) linmin: converged after 6 iterations. iteration 42: trace = 0.8305318838374596 (2.34401e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 0.8305318838359891 (1.77054e-10% change) linmin: converged after 16 iterations. iteration 44: trace = 0.8305318838350266 (1.15884e-10% change) linmin: converged after 4 iterations. iteration 45: trace = 0.8305318838345976 (5.16525e-11% change) Finished solving for bands 1 to 8 after 45 iterations. freqs:, 2, 0.1, 0, 0, 0.1, 0.0367937, 0.049071, 0.308902, 0.358341, 0.370542, 0.38729, 0.392077, 0.402396 elapsed time for k point: 0.37892818450927734 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8363158601013908 (1.66557% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8340975083120038 (0.265605% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8332458664943915 (0.102156% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8322497918505488 (0.119613% change) linmin: converged after 11 iterations. iteration 5: trace = 0.8311832900374255 (0.128229% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8306432394263189 (0.0649948% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8303416616999384 (0.0363131% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8301707132785648 (0.0205898% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8300781559959459 (0.0111498% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8300183450117286 (0.00720572% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8299838209968995 (0.00415951% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8299580236590539 (0.00310822% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8299441420166459 (0.00167259% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8299355104420021 (0.00104002% change) linmin: converged after 5 iterations. iteration 15: trace = 0.8299314094940672 (0.00049413% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8299288478334276 (0.00030866% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8299269859864954 (0.000224338% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8299257864058954 (0.000144541% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8299250658247028 (8.68248e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8299246454651362 (5.06503e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8299243778997331 (3.22397e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 0.8299242050799008 (2.08236e-05% change) linmin: converged after 10 iterations. iteration 23: trace = 0.8299241006170162 (1.2587e-05% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8299240288709485 (8.6449e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8299239857346412 (5.19762e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8299239648673487 (2.51436e-06% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8299239559095059 (1.07936e-06% change) linmin: converged after 9 iterations. iteration 28: trace = 0.8299239507817767 (6.17855e-07% change) linmin: converged after 6 iterations. iteration 29: trace = 0.8299239486790257 (2.53367e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8299239474471355 (1.48434e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8299239467744972 (8.10482e-08% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8299239462912074 (5.8233e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8299239460822321 (2.51801e-08% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8299239459468997 (1.63066e-08% change) linmin: converged after 22 iterations. iteration 35: trace = 0.8299239458765897 (8.47186e-09% change) linmin: converged after 9 iterations. iteration 36: trace = 0.8299239458198522 (6.83647e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8299239457895672 (3.64913e-09% change) linmin: converged after 4 iterations. iteration 38: trace = 0.8299239457730869 (1.98576e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8299239457622448 (1.3064e-09% change) linmin: converged after 17 iterations. iteration 40: trace = 0.8299239457533906 (1.06687e-09% change) linmin: converged after 4 iterations. iteration 41: trace = 0.8299239457488148 (5.5135e-10% change) linmin: converged after 18 iterations. iteration 42: trace = 0.8299239457466068 (2.6605e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 0.8299239457457737 (1.00384e-10% change) linmin: converged after 6 iterations. iteration 44: trace = 0.8299239457452543 (6.25795e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 3, 0.2, 0, 0, 0.2, 0.0730357, 0.0965491, 0.285819, 0.360073, 0.368932, 0.371597, 0.403894, 0.408164 elapsed time for k point: 0.3699831962585449 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8384579710384535 (1.6581% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8362067464034526 (0.268857% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8349591214258459 (0.149312% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8329527434694632 (0.240586% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8312082199994119 (0.209658% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8301835396401117 (0.123352% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8295953310410691 (0.0708779% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8291618777513838 (0.0522624% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8288536352313983 (0.0371821% change) linmin: converged after 4 iterations. iteration 10: trace = 0.828631454090627 (0.0268094% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8284802606975523 (0.0182478% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8283945735769731 (0.0103432% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8283427444933308 (0.00625677% change) linmin: converged after 4 iterations. iteration 14: trace = 0.828319433045274 (0.00281427% change) linmin: converged after 5 iterations. iteration 15: trace = 0.8283033017525545 (0.00194749% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8282937079886115 (0.00115825% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8282878480625775 (0.000707472% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8282850045905219 (0.000343296% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8282833184111431 (0.000203575% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8282822463842419 (0.000129428% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8282816459330914 (7.24936e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8282813061972714 (4.1017e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8282810615722178 (2.95341e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.828280963521848 (1.18378e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8282809080507708 (6.69713e-06% change) linmin: converged after 6 iterations. iteration 26: trace = 0.8282808797258069 (3.41973e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8282808634905576 (1.96011e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8282808551640165 (1.00528e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8282808490579481 (7.37198e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8282808456817351 (4.07617e-07% change) linmin: converged after 17 iterations. iteration 31: trace = 0.8282808435851913 (2.5312e-07% change) linmin: converged after 6 iterations. iteration 32: trace = 0.8282808424976603 (1.313e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8282808418243481 (8.12903e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8282808413684932 (5.50363e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8282808411401024 (2.75741e-08% change) linmin: converged after 23 iterations. iteration 36: trace = 0.8282808410003684 (1.68704e-08% change) linmin: converged after 6 iterations. iteration 37: trace = 0.8282808409003388 (1.20768e-08% change) linmin: converged after 9 iterations. iteration 38: trace = 0.8282808408204234 (9.64835e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8282808407815198 (4.69692e-09% change) linmin: converged after 21 iterations. iteration 40: trace = 0.8282808407436587 (4.57104e-09% change) linmin: converged after 24 iterations. iteration 41: trace = 0.8282808407148377 (3.47962e-09% change) linmin: converged after 19 iterations. iteration 42: trace = 0.8282808406920086 (2.7562e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 0.8282808406803963 (1.40197e-09% change) linmin: converged after 19 iterations. iteration 44: trace = 0.8282808406737885 (7.97776e-10% change) linmin: converged after 10 iterations. iteration 45: trace = 0.8282808406704861 (3.987e-10% change) linmin: converged after 4 iterations. iteration 46: trace = 0.8282808406687552 (2.08981e-10% change) linmin: converged after 6 iterations. iteration 47: trace = 0.8282808406678092 (1.14215e-10% change) linmin: converged after 4 iterations. iteration 48: trace = 0.828280840667424 (4.64983e-11% change) Finished solving for bands 1 to 8 after 48 iterations. freqs:, 4, 0.3, 0, 0, 0.3, 0.107851, 0.140336, 0.25846, 0.340653, 0.367325, 0.372946, 0.405794, 0.418837 elapsed time for k point: 0.4035332202911377 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 11 iterations. iteration 1: trace = 0.8297766891083115 (1.76584% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8271261684584728 (0.319937% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8255817084422443 (0.186901% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8228149488614643 (0.335691% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8213029828352401 (0.183924% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8204117591583342 (0.108572% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8200782988683766 (0.0406537% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8198547383760075 (0.0272646% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8197334194477957 (0.0147987% change) linmin: converged after 4 iterations. iteration 10: trace = 0.819654941185852 (0.00957409% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8196169098393782 (0.00464003% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8195957363290993 (0.00258338% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8195850475609899 (0.00130416% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8195801359375834 (0.000599284% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8195775858622327 (0.000311145% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8195759931744433 (0.000194331% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8195753474397142 (7.87889e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8195750259742659 (3.92234e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8195748466734994 (2.18773e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8195747606874662 (1.04915e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8195747077048878 (6.46464e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8195746734680498 (4.17739e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.819574649862023 (2.88028e-06% change) linmin: converged after 9 iterations. iteration 24: trace = 0.8195746392254352 (1.29782e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8195746328348384 (7.79746e-07% change) linmin: converged after 17 iterations. iteration 26: trace = 0.8195746295494711 (4.00862e-07% change) linmin: converged after 19 iterations. iteration 27: trace = 0.8195746281501692 (1.70735e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8195746272400526 (1.11047e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.819574626810095 (5.24611e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8195746265188524 (3.55358e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8195746264084737 (1.34678e-08% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8195746263156766 (1.13226e-08% change) linmin: converged after 8 iterations. iteration 33: trace = 0.8195746262714598 (5.39508e-09% change) linmin: converged after 14 iterations. iteration 34: trace = 0.8195746262510976 (2.48449e-09% change) linmin: converged after 9 iterations. iteration 35: trace = 0.8195746262406702 (1.27229e-09% change) linmin: converged after 5 iterations. iteration 36: trace = 0.8195746262340656 (8.05858e-10% change) linmin: converged after 5 iterations. iteration 37: trace = 0.8195746262311606 (3.54453e-10% change) linmin: converged after 7 iterations. iteration 38: trace = 0.8195746262301504 (1.23258e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8195746262296733 (5.82221e-11% change) Finished solving for bands 1 to 8 after 39 iterations. freqs:, 5, 0.4, 0, 0, 0.4, 0.1388, 0.176103, 0.23164, 0.313843, 0.374076, 0.377706, 0.407374, 0.410603 elapsed time for k point: 0.32856178283691406 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8202060387201968 (1.70382% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8182750241161153 (0.235708% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8175355594327149 (0.0904096% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8164009027531411 (0.138886% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8158262222328071 (0.0704167% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8155045628218419 (0.0394352% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8153935931190253 (0.0136084% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8153330404418055 (0.00742647% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8153020394554263 (0.00380232% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8152830534511838 (0.00232874% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8152730327958287 (0.00122911% change) linmin: converged after 4 iterations. iteration 12: trace = 0.815266489638292 (0.000802576% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8152634044375408 (0.000378429% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8152616169738085 (0.00021925% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8152605303294077 (0.000133288% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8152599189119034 (7.49966e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8152596059347024 (3.83899e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8152594642120724 (1.73837e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8152593920835787 (8.84731e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8152593577039609 (4.21702e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8152593354987897 (2.72369e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8152593247016555 (1.32438e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8152593173087749 (9.06813e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8152593138254379 (4.27267e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 0.8152593120047846 (2.23322e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8152593112736252 (8.96843e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 0.815259311009214 (3.24328e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.815259310849337 (1.96106e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8152593107911454 (7.1378e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8152593107576609 (4.10723e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 0.8152593107456165 (1.47737e-09% change) linmin: converged after 13 iterations. iteration 32: trace = 0.8152593107377925 (9.59704e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 0.8152593107338371 (4.8517e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8152593107317033 (2.61725e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 0.815259310730681 (1.25395e-10% change) linmin: converged after 15 iterations. iteration 36: trace = 0.8152593107299855 (8.5317e-11% change) Finished solving for bands 1 to 8 after 36 iterations. freqs:, 6, 0.5, 0, 0, 0.5, 0.154816, 0.192048, 0.216968, 0.300856, 0.374518, 0.385777, 0.401594, 0.407988 elapsed time for k point: 0.3032364845275879 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8213704099867688 (1.52178% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8169092598691142 (0.544614% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8151043146603227 (0.221192% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8124543005631812 (0.325643% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8112401685594199 (0.149552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8106456426067766 (0.0733129% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8104033710413459 (0.0298907% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8102812528478486 (0.01507% change) linmin: converged after 4 iterations. iteration 9: trace = 0.810209841873352 (0.0088135% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8101705321405783 (0.00485191% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8101434675866162 (0.00334066% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8101271596843559 (0.00201298% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8101190529539553 (0.00100068% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8101141957189369 (0.000599572% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8101112551273707 (0.000362985% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8101100249752451 (0.00015185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8101093505151842 (8.32554e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8101090557261189 (3.63888e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101089101963076 (1.79642e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8101088685543414 (5.14029e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8101088443461923 (2.98826e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8101088339233449 (1.2866e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 0.8101088287653671 (6.36702e-07% change) linmin: converged after 11 iterations. iteration 24: trace = 0.8101088257061524 (3.7763e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8101088238653312 (2.27231e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8101088226655302 (1.48104e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8101088219921042 (8.31278e-08% change) linmin: converged after 7 iterations. iteration 28: trace = 0.810108821643531 (4.30279e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8101088214253358 (2.69341e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8101088213419797 (1.02895e-08% change) linmin: converged after 9 iterations. iteration 31: trace = 0.810108821310262 (3.91524e-09% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8101088212925482 (2.18659e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8101088212829813 (1.18094e-09% change) linmin: converged after 7 iterations. iteration 34: trace = 0.8101088212792962 (4.54897e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8101088212770255 (2.80287e-10% change) linmin: converged after 8 iterations. iteration 36: trace = 0.8101088212756522 (1.69526e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8101088212748294 (1.01565e-10% change) linmin: converged after 7 iterations. iteration 38: trace = 0.8101088212743901 (5.42292e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 7, 0.5, 0.1, 0, 0.509902, 0.15975, 0.195136, 0.218441, 0.305033, 0.358789, 0.391555, 0.402172, 0.402445 elapsed time for k point: 0.3195621967315674 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8092733711278575 (1.38558% change) linmin: converged after 5 iterations. iteration 2: trace = 0.806298496977174 (0.368275% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8053330558377515 (0.119809% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8040592280609102 (0.158299% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8034666835425376 (0.0737213% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8031100766843189 (0.0443934% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8029749352576895 (0.0168287% change) linmin: converged after 5 iterations. iteration 8: trace = 0.8028924749265801 (0.0102699% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8028467143041413 (0.00569963% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8028180397697974 (0.00357167% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8027995733459976 (0.00230023% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8027906687323348 (0.0011092% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8027867967539709 (0.000482316% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8027849000552012 (0.000236265% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8027839219051776 (0.000121845% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8027834732207143 (5.58911e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8027832650213433 (2.59347e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8027831684655309 (1.20276e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027831163738794 (6.48888e-06% change) linmin: converged after 12 iterations. iteration 20: trace = 0.8027830991936685 (2.14008e-06% change) linmin: converged after 15 iterations. iteration 21: trace = 0.8027830866479158 (1.56278e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8027830797597385 (8.58037e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8027830760515245 (4.6192e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 0.802783073619141 (3.02994e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8027830724307867 (1.48029e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8027830717575407 (8.3864e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8027830715079979 (3.10847e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8027830713939049 (1.42122e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8027830713270429 (8.32878e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8027830712989865 (3.49488e-09% change) linmin: converged after 12 iterations. iteration 31: trace = 0.8027830712879669 (1.37268e-09% change) linmin: converged after 15 iterations. iteration 32: trace = 0.8027830712796175 (1.04006e-09% change) linmin: converged after 13 iterations. iteration 33: trace = 0.8027830712735203 (7.59498e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8027830712713142 (2.7481e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 0.802783071269805 (1.88001e-10% change) linmin: converged after 7 iterations. iteration 36: trace = 0.802783071268766 (1.29418e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8027830712683004 (5.80017e-11% change) Finished solving for bands 1 to 8 after 37 iterations. freqs:, 8, 0.5, 0.2, 0, 0.538516, 0.173344, 0.203625, 0.222584, 0.316302, 0.340088, 0.36862, 0.387671, 0.424089 elapsed time for k point: 0.31174707412719727 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8068179225887984 (1.29517% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8048325881928629 (0.246373% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8042872136603029 (0.0677854% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8036249724599365 (0.0823728% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8032567356252435 (0.0458325% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8029920196650634 (0.0329608% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8028887415048966 (0.0128625% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8028182815775556 (0.00877619% change) linmin: converged after 3 iterations. iteration 9: trace = 0.80277801877851 (0.00501531% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8027521710407245 (0.00321984% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8027359476526512 (0.00202099% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8027279829144564 (0.000992204% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8027238801143829 (0.000511108% change) linmin: converged after 7 iterations. iteration 14: trace = 0.8027211420985965 (0.000341091% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8027191516384174 (0.000247964% change) linmin: converged after 4 iterations. iteration 16: trace = 0.802717622495952 (0.000190496% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8027166889701813 (0.000116296% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8027162103596904 (5.96239e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027159091591478 (3.75227e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8027158068781746 (1.27419e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8027157420448232 (8.07675e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8027157093436421 (4.07382e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8027156963900605 (1.61372e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.802715689771905 (8.24471e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8027156870140718 (3.43563e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8027156854301815 (1.97316e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8027156847538273 (8.42583e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8027156842766804 (5.94416e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 0.802715684025152 (3.13347e-08% change) linmin: converged after 26 iterations. iteration 30: trace = 0.8027156839051053 (1.49551e-08% change) linmin: converged after 19 iterations. iteration 31: trace = 0.8027156838537036 (6.40347e-09% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8027156838186882 (4.36212e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8027156837999545 (2.33379e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8027156837942568 (7.09799e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 0.802715683790459 (4.73125e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8027156837880055 (3.05648e-10% change) linmin: converged after 16 iterations. iteration 37: trace = 0.8027156837870203 (1.22735e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 0.8027156837865838 (5.43829e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 9, 0.5, 0.3, 0, 0.583095, 0.192437, 0.215224, 0.228468, 0.323728, 0.33113, 0.341965, 0.37019, 0.4458 elapsed time for k point: 0.3199350833892822 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8155294376368937 (1.37094% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8138776522677785 (0.202747% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8133742935486792 (0.0618661% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8126556331386884 (0.0883945% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8121871670607227 (0.0576629% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8117923023564266 (0.0486293% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8116108115422556 (0.0223593% change) linmin: converged after 3 iterations. iteration 8: trace = 0.811473997736462 (0.0168585% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8113791011433623 (0.011695% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8113085750799159 (0.0086925% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8112504355243431 (0.0071664% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8112110667173078 (0.00485297% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8111826254009693 (0.00350609% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8111593523668319 (0.00286907% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8111444357100557 (0.00183895% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8111354444139358 (0.00110848% change) linmin: converged after 10 iterations. iteration 17: trace = 0.8111316026057769 (0.000473634% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8111301871456812 (0.000174505% change) linmin: converged after 2 iterations. iteration 19: trace = 0.811129352627457 (0.000102883% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8111290114631671 (4.20604e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8111287652725696 (3.03516e-05% change) linmin: converged after 17 iterations. iteration 22: trace = 0.8111286057812014 (1.96629e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8111285234426173 (1.01511e-05% change) linmin: converged after 20 iterations. iteration 24: trace = 0.8111284687544952 (6.74223e-06% change) linmin: converged after 19 iterations. iteration 25: trace = 0.8111284433477549 (3.13227e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.811128422203095 (2.60682e-06% change) linmin: converged after 8 iterations. iteration 27: trace = 0.8111284113560405 (1.33728e-06% change) linmin: converged after 8 iterations. iteration 28: trace = 0.8111284028317149 (1.05092e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8111283987915551 (4.98091e-07% change) linmin: converged after 14 iterations. iteration 30: trace = 0.8111283967889734 (2.46888e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.811128395521685 (1.56238e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8111283948185333 (8.66881e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8111283945321679 (3.53046e-08% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8111283944066423 (1.54754e-08% change) linmin: converged after 18 iterations. iteration 35: trace = 0.8111283943165301 (1.11095e-08% change) linmin: converged after 21 iterations. iteration 36: trace = 0.8111283942752688 (5.08689e-09% change) linmin: converged after 21 iterations. iteration 37: trace = 0.8111283942632432 (1.48258e-09% change) linmin: converged after 5 iterations. iteration 38: trace = 0.811128394255757 (9.22941e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8111283942508341 (6.06926e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 0.8111283942481882 (3.26198e-10% change) linmin: converged after 16 iterations. iteration 41: trace = 0.8111283942468093 (1.69997e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 0.8111283942460429 (9.4484e-11% change) Finished solving for bands 1 to 8 after 42 iterations. freqs:, 10, 0.5, 0.4, 0, 0.640312, 0.21184, 0.226, 0.234179, 0.311757, 0.318108, 0.344193, 0.3555, 0.465942 elapsed time for k point: 0.35393500328063965 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8290563269221072 (1.5156% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8273550264634679 (0.20542% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8266224782067794 (0.0885802% change) large trace change predicted (0.193434%) linmin: converged after 4 iterations. iteration 4: trace = 0.8250101628950451 (0.195239% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8239463222300714 (0.129032% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8228610425253583 (0.131804% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8221978507101262 (0.0806283% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8216235802254463 (0.0698702% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8211054695652615 (0.0630793% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8206083191270223 (0.0605648% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8201236287643964 (0.0590822% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8197787982962903 (0.042055% change) linmin: converged after 3 iterations. iteration 13: trace = 0.819540635321987 (0.0290563% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8193469211849574 (0.0236397% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8192379771351233 (0.0132973% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8191817953719291 (0.00685804% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8191490570075524 (0.00399655% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8191307360016993 (0.00223662% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8191110855885881 (0.00239896% change) linmin: converged after 4 iterations. iteration 20: trace = 0.819099400210581 (0.0014266% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8190864754427924 (0.00157794% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8190800027292133 (0.000790239% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8190771103947444 (0.000353121% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8190748139325278 (0.000280372% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8190737905148695 (0.000124948% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8190729885722785 (9.79085e-05% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8190726416047907 (4.2361e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8190724446469592 (2.40464e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8190723634325831 (9.91541e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 0.8190723223058884 (5.02113e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8190722936361966 (3.50026e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8190722799506275 (1.67086e-06% change) linmin: converged after 9 iterations. iteration 33: trace = 0.819072271720906 (1.00476e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 0.8190722641677797 (9.22156e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8190722569176097 (8.85169e-07% change) linmin: converged after 20 iterations. iteration 36: trace = 0.8190722523986398 (5.51718e-07% change) linmin: converged after 16 iterations. iteration 37: trace = 0.8190722470125847 (6.5758e-07% change) linmin: converged after 23 iterations. iteration 38: trace = 0.8190722404773337 (7.97885e-07% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8190722358112805 (5.69675e-07% change) linmin: converged after 4 iterations. iteration 40: trace = 0.8190722327134278 (3.78215e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 0.8190722304560943 (2.75596e-07% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8190722291582532 (1.58453e-07% change) linmin: converged after 4 iterations. iteration 43: trace = 0.8190722281638703 (1.21404e-07% change) linmin: converged after 17 iterations. iteration 44: trace = 0.8190722275599094 (7.37372e-08% change) linmin: converged after 2 iterations. iteration 45: trace = 0.8190722273229329 (2.89323e-08% change) linmin: converged after 3 iterations. iteration 46: trace = 0.819072227169394 (1.87455e-08% change) linmin: converged after 5 iterations. iteration 47: trace = 0.8190722271071567 (7.59852e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 0.81907222707079 (4.43999e-09% change) linmin: converged after 17 iterations. iteration 49: trace = 0.8190722270585127 (1.49893e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 0.8190722270528336 (6.93361e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 0.8190722270495935 (3.95579e-10% change) linmin: converged after 4 iterations. iteration 52: trace = 0.8190722270481853 (1.71927e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 0.8190722270473999 (9.58855e-11% change) Finished solving for bands 1 to 8 after 53 iterations. freqs:, 11, 0.5, 0.5, 0, 0.707107, 0.221357, 0.230619, 0.236708, 0.307149, 0.30715, 0.349538, 0.349539, 0.477307 elapsed time for k point: 0.44407081604003906 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8318723245706173 (3.13082% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8276838458238489 (0.504771% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8250719751643274 (0.316062% change) large trace change predicted (0.829962%) linmin: converged after 5 iterations. iteration 4: trace = 0.8181500821758221 (0.842478% change) linmin: converged after 5 iterations. iteration 5: trace = 0.8146308841826067 (0.431068% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8121449348967322 (0.305629% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8110067055703856 (0.140249% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8102662668393587 (0.0913404% change) linmin: converged after 3 iterations. iteration 9: trace = 0.809763714739566 (0.0620423% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8094608758574691 (0.0374054% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8092619572239498 (0.0245772% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8091489869963178 (0.0139606% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8090914838523733 (0.00710687% change) linmin: converged after 4 iterations. iteration 14: trace = 0.809052449561116 (0.00482458% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8090299048314744 (0.0027866% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8090196961708995 (0.00126185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8090149532580007 (0.000586256% change) linmin: converged after 5 iterations. iteration 18: trace = 0.8090133783585418 (0.000194669% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8090122091828461 (0.000144519% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8090117465490774 (5.7185e-05% change) linmin: converged after 12 iterations. iteration 21: trace = 0.8090114311733286 (3.89828e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8090112622133514 (2.08847e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8090112032213214 (7.29187e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8090111645767116 (4.77677e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8090111496273176 (1.84786e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8090111376871483 (1.4759e-06% change) linmin: converged after 7 iterations. iteration 27: trace = 0.8090111299481266 (9.56603e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8090111234591612 (8.02086e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8090111190077973 (5.50223e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8090111160067444 (3.70953e-07% change) linmin: converged after 11 iterations. iteration 31: trace = 0.8090111140715612 (2.39204e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8090111128405609 (1.52161e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8090111123538591 (6.01601e-08% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8090111120761612 (3.43256e-08% change) linmin: converged after 13 iterations. iteration 35: trace = 0.8090111118275721 (3.07275e-08% change) linmin: converged after 8 iterations. iteration 36: trace = 0.809011111728827 (1.22057e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 0.8090111116923964 (4.50311e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8090111116668655 (3.15582e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 0.8090111116513795 (1.91418e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 0.8090111116440928 (9.00696e-10% change) linmin: converged after 6 iterations. iteration 41: trace = 0.8090111116401744 (4.84347e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 0.8090111116384467 (2.13547e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 0.8090111116376206 (1.02114e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 0.8090111116370101 (7.54639e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 12, 0.4, 0.4, 0, 0.565685, 0.19918, 0.2202, 0.239097, 0.309959, 0.330944, 0.347653, 0.354078, 0.460272 elapsed time for k point: 0.3695871829986572 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8171851170978792 (2.82615% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8139180273636745 (0.400599% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8130234307996065 (0.109973% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8115816240602353 (0.177496% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8108367043898219 (0.0918283% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8104212308343691 (0.0512532% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8102651075147045 (0.0192663% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8101854245831258 (0.00983466% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8101424830515915 (0.00530035% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8101209445534954 (0.00265864% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8101107143717284 (0.0012628% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8101053670865761 (0.000660071% change) linmin: converged after 5 iterations. iteration 13: trace = 0.810103309748394 (0.00025396% change) linmin: converged after 2 iterations. iteration 14: trace = 0.8101024191779365 (0.000109933% change) linmin: converged after 2 iterations. iteration 15: trace = 0.810101934143578 (5.98732e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8101016896360241 (3.01823e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8101015590582976 (1.61187e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8101015104593601 (5.99912e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101014866005622 (2.94516e-06% change) linmin: converged after 6 iterations. iteration 20: trace = 0.8101014766732867 (1.22544e-06% change) linmin: converged after 15 iterations. iteration 21: trace = 0.8101014719162722 (5.87212e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8101014694525326 (3.04127e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8101014680412481 (1.74211e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 0.810101467189742 (1.05111e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8101014666458742 (6.71358e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8101014663668955 (3.44375e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8101014662654051 (1.25281e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8101014662094284 (6.90985e-09% change) linmin: converged after 18 iterations. iteration 29: trace = 0.8101014661850822 (3.00533e-09% change) linmin: converged after 5 iterations. iteration 30: trace = 0.8101014661721249 (1.59947e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 0.8101014661683192 (4.69771e-10% change) linmin: converged after 6 iterations. iteration 32: trace = 0.8101014661663745 (2.40066e-10% change) linmin: converged after 13 iterations. iteration 33: trace = 0.8101014661650507 (1.63402e-10% change) linmin: converged after 5 iterations. iteration 34: trace = 0.8101014661646311 (5.18039e-11% change) Finished solving for bands 1 to 8 after 34 iterations. freqs:, 13, 0.3, 0.3, 0, 0.424264, 0.153826, 0.186625, 0.253882, 0.318156, 0.351842, 0.366269, 0.371004, 0.436281 elapsed time for k point: 0.28710007667541504 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 0.8384802898746316 (2.88371% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8342584911063601 (0.504777% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8324378232295635 (0.218476% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8292138799096623 (0.388041% change) linmin: converged after 4 iterations. iteration 5: trace = 0.827322253232248 (0.228383% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8262867608252595 (0.12524% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8257462495265542 (0.0654359% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8254198265356566 (0.0395385% change) linmin: converged after 3 iterations. iteration 9: trace = 0.825189866361679 (0.0278637% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8250606384828847 (0.0156616% change) linmin: converged after 5 iterations. iteration 11: trace = 0.8249885908464198 (0.00873279% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8249476216823421 (0.00496615% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8249285370650702 (0.00231346% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8249170794087222 (0.00138894% change) linmin: converged after 3 iterations. iteration 15: trace = 0.824909745056658 (0.000889106% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8249057647163065 (0.000482519% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8249036821750692 (0.000252458% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8249026994258285 (0.000119135% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8249021282724944 (6.92389e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8249018605074976 (3.24602e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 0.824901680344753 (2.18405e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8249015845869485 (1.16084e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8249015344706891 (6.07542e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8249015089280834 (3.09644e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8249014948902105 (1.70176e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8249014886144898 (7.60784e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8249014853873697 (3.91213e-07% change) linmin: converged after 7 iterations. iteration 28: trace = 0.8249014836510001 (2.10494e-07% change) linmin: converged after 8 iterations. iteration 29: trace = 0.8249014827636333 (1.07572e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8249014823775753 (4.68005e-08% change) linmin: converged after 17 iterations. iteration 31: trace = 0.8249014822007902 (2.14311e-08% change) linmin: converged after 7 iterations. iteration 32: trace = 0.824901482090505 (1.33695e-08% change) linmin: converged after 25 iterations. iteration 33: trace = 0.8249014820217438 (8.33568e-09% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8249014819930203 (3.48206e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8249014819693669 (2.86742e-09% change) linmin: converged after 21 iterations. iteration 36: trace = 0.824901481953956 (1.86821e-09% change) linmin: converged after 15 iterations. iteration 37: trace = 0.8249014819460342 (9.6033e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 0.8249014819420615 (4.81598e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8249014819395273 (3.07212e-10% change) linmin: converged after 2 iterations. iteration 40: trace = 0.8249014819380537 (1.78639e-10% change) linmin: converged after 6 iterations. iteration 41: trace = 0.8249014819373077 (9.04301e-11% change) Finished solving for bands 1 to 8 after 41 iterations. freqs:, 14, 0.2, 0.2, 0, 0.282843, 0.103673, 0.133382, 0.276682, 0.331086, 0.368234, 0.382194, 0.398022, 0.412434 elapsed time for k point: 0.34505653381347656 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8480483504581299 (3.58198% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8430089126035534 (0.59601% change) linmin: converged after 6 iterations. iteration 3: trace = 0.8384490944511702 (0.542365% change) linmin: converged after 5 iterations. iteration 4: trace = 0.833504242190688 (0.591506% change) linmin: converged after 7 iterations. iteration 5: trace = 0.8312006937665164 (0.276752% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8303345713220935 (0.104256% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8298720782410015 (0.0557151% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8296438183420882 (0.0275092% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8295035920716745 (0.0169034% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8294292605779796 (0.00896136% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8293938184228465 (0.00427317% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8293756458030886 (0.0021911% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8293681148786949 (0.000908027% change) linmin: converged after 3 iterations. iteration 14: trace = 0.829364432196277 (0.000444036% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8293622462035655 (0.000263575% change) linmin: converged after 5 iterations. iteration 16: trace = 0.8293611088425463 (0.000137137% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8293605063722982 (7.26427e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8293602062722087 (3.61845e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 0.829360060622235 (1.75617e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8293599788560164 (9.85895e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8293599294100342 (5.96194e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8293598981795837 (3.76561e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 0.8293598817828401 (1.97704e-06% change) linmin: converged after 8 iterations. iteration 24: trace = 0.8293598714059226 (1.2512e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8293598655872634 (7.01584e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8293598628133637 (3.34463e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8293598612781707 (1.85106e-07% change) linmin: converged after 26 iterations. iteration 28: trace = 0.829359860406113 (1.05148e-07% change) linmin: converged after 6 iterations. iteration 29: trace = 0.8293598600266712 (4.57512e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8293598598808699 (1.758e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8293598598147806 (7.96872e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8293598597813745 (4.02793e-09% change) linmin: converged after 11 iterations. iteration 33: trace = 0.8293598597669878 (1.73468e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 0.8293598597619863 (6.03049e-10% change) linmin: converged after 17 iterations. iteration 35: trace = 0.8293598597589511 (3.65974e-10% change) linmin: converged after 6 iterations. iteration 36: trace = 0.8293598597571568 (2.16353e-10% change) linmin: converged after 6 iterations. iteration 37: trace = 0.8293598597560846 (1.29273e-10% change) linmin: converged after 12 iterations. iteration 38: trace = 0.829359859755505 (6.98909e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0520822, 0.0690311, 0.302853, 0.347811, 0.385316, 0.389474, 0.390006, 0.396139 elapsed time for k point: 0.3244912624359131 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8480940244436135 (1.69227% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8419235022443301 (0.730232% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8394087479288144 (0.299138% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8364662672451877 (0.351158% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8346723545410559 (0.214693% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8334606568492471 (0.145276% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8328462065788337 (0.07375% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8325101793126474 (0.040355% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8322457691396704 (0.0317656% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8321412516981945 (0.0125593% change) linmin: converged after 4 iterations. iteration 11: trace = 0.832085211523738 (0.00673468% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8320477512855869 (0.00450207% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8320325851853625 (0.00182276% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8320268694258944 (0.000686966% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8320236470046984 (0.000387298% change) linmin: converged after 3 iterations. iteration 16: trace = 0.832022038583722 (0.000193315% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8320210664606005 (0.000116839% change) linmin: converged after 2 iterations. iteration 18: trace = 0.832020605834479 (5.53623e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8320203906623707 (2.58614e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8320202605730956 (1.56353e-05% change) linmin: converged after 25 iterations. iteration 21: trace = 0.8320201840423711 (9.19818e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8320201379422056 (5.54075e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8320200998172489 (4.58222e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8320200739733746 (3.10616e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8320200654921772 (1.01935e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8320200619872655 (4.21253e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8320200597339964 (2.70819e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8320200583654871 (1.6448e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8320200576761874 (8.28465e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8320200574763275 (2.4021e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 0.832020057316172 (1.9249e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320200572338545 (9.89369e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8320200571976768 (4.34818e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8320200571735459 (2.90028e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8320200571592899 (1.71341e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8320200571525684 (8.07855e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 0.8320200571484562 (4.94251e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8320200571461509 (2.77069e-10% change) linmin: converged after 5 iterations. iteration 39: trace = 0.8320200571449837 (1.40282e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 0.8320200571443133 (8.05826e-11% change) Finished solving for bands 3 to 8 after 40 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 ..elapsed time for k point: 0.2283642292022705 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024747 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.23061915826414686 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.21696776954474636 at Vector3<0.5, 0.0, 0.0> to 0.3189924765685539 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.30085648308394924 at Vector3<0.5, 0.0, 0.0> to 0.3651152537651716 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.30714983400393525 at Vector3<0.5, 0.5, 0.0> to 0.38531636177147277 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Band 6 range: 0.3419647255076201 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.39155468442595526 at Vector3<0.5, 0.1, 0.0> Band 7 range: 0.349538537661238 at Vector3<0.5, 0.5, 0.0> to 0.40737360012304397 at Vector3<0.4, 0.0, 0.0> Band 8 range: 0.396138823310111 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.4773065722591579 at Vector3<0.5, 0.5, 0.0> total elapsed time for run: 5.39305567741394 done /tmp/meepW1wGQn/test_anisotropic_2d_gap-0: 5.40s /tmp/meepW1wGQn/test_attribute_accessors-0 ======================== /tmp/meepW1wGQn/test_attribute_accessors-0: 0.00s /tmp/meepW1wGQn/test_bragg-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 1 dimensions. Grid size is 32 x 1 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 1e+20, height 0.25, axis (1, 0, 0) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.0, 0.0> elapsed time for initialization: 0.0009238719940185547 solve_kpoint (0.5,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 1 to 8... near maximum in trace linmin: converged after 18 iterations. iteration 1: trace = 27.80144625047677 (180.5% change) linmin: converged after 8 iterations. iteration 2: trace = 19.82418800004402 (33.4999% change) linmin: converged after 6 iterations. iteration 3: trace = 18.80241114661345 (5.29053% change) linmin: converged after 7 iterations. switching to approximate line minimization (decrease time by 50.1587%) iteration 4: trace = 18.64391851983457 (0.846506% change) iteration 5: trace = 18.63017879161321 (0.0737227% change) iteration 6: trace = 18.629160873129 (0.00546396% change) iteration 7: trace = 18.62909560170295 (0.000350373% change) switching back to exact line minimization iteration 8: trace = 18.62908847484559 (3.82566e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 18.62908778004575 (3.72965e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 18.62908770043336 (4.27355e-07% change) linmin: converged after 5 iterations. iteration 11: trace = 18.62908769517381 (2.8233e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 18.6290876949047 (1.44454e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 18.62908769489241 (6.59849e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 1, 0.5, 0, 0, 0.5, 0.222451, 0.443471, 0.892368, 1.10456, 1.56579, 1.75949, 2.24248, 2.40631 elapsed time for k point: 0.005324363708496094 total elapsed time for run: 0.0063397884368896484 done Fixing h-field (band 8) phase by 0.909549 + -0.415598i; max ampl. = 1.96664 .Outputting fields to /tmp/meepW1wGQn/test_bragg-0-h.k01.b08.y.tm.h5... /tmp/meepW1wGQn/test_bragg-0: 0.03s /tmp/meepW1wGQn/test_bragg_sine-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 1 dimensions. Grid size is 32 x 1 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 11 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.05, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.15000000000000002, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.25, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.35000000000000003, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.45, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> elapsed time for initialization: 0.010677814483642578 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 18 iterations. iteration 1: trace = 17.30275056401703 (175.314% change) linmin: converged after 8 iterations. iteration 2: trace = 11.97603738637151 (36.3862% change) linmin: converged after 7 iterations. iteration 3: trace = 11.17691626013234 (6.90297% change) linmin: converged after 5 iterations. iteration 4: trace = 11.0889648691698 (0.79001% change) linmin: converged after 6 iterations. iteration 5: trace = 11.08297661618021 (0.0540165% change) linmin: converged after 6 iterations. iteration 6: trace = 11.08249596622506 (0.00433692% change) linmin: converged after 6 iterations. iteration 7: trace = 11.08219937793246 (0.00267622% change) large trace change predicted (0.0167814%) linmin: converged after 7 iterations. switching to approximate line minimization (decrease time by 50.3817%) iteration 8: trace = 11.08038971046896 (0.0163308% change) switching back to exact line minimization iteration 9: trace = 11.07374866192617 (0.0599531% change) linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 51.4706%) iteration 10: trace = 11.07238425004555 (0.0123219% change) iteration 11: trace = 11.07222536725467 (0.00143496% change) iteration 12: trace = 11.07219768909724 (0.000249979% change) iteration 13: trace = 11.07218066063157 (0.000153795% change) iteration 14: trace = 11.07207993581937 (0.000909715% change) iteration 15: trace = 11.07180226861547 (0.00250785% change) iteration 16: trace = 11.07169185554145 (0.000997251% change) switching back to exact line minimization iteration 17: trace = 11.07167959578993 (0.000110731% change) linmin: converged after 5 iterations. iteration 18: trace = 11.07167871896471 (7.91953e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 11.07167858836889 (1.17955e-06% change) large trace change predicted (2.9207e-06%) linmin: converged after 11 iterations. switching to approximate line minimization (decrease time by 57.0513%) iteration 20: trace = 11.07167826498867 (2.92079e-06% change) iteration 21: trace = 11.07167669713906 (1.41609e-05% change) iteration 22: trace = 11.07167500805026 (1.52559e-05% change) iteration 23: trace = 11.07167457395458 (3.92078e-06% change) iteration 24: trace = 11.07167454688876 (2.4446e-07% change) iteration 25: trace = 11.0716745453223 (1.41483e-08% change) iteration 26: trace = 11.07167454398908 (1.20418e-08% change) iteration 27: trace = 11.07167453859732 (4.86986e-08% change) iteration 28: trace = 11.07167451999883 (1.67983e-07% change) iteration 29: trace = 11.07167451445254 (5.00945e-08% change) iteration 30: trace = 11.07167451380456 (5.85251e-09% change) iteration 31: trace = 11.07167451373528 (6.25802e-10% change) iteration 32: trace = 11.07167451372704 (7.44288e-11% change) Finished solving for bands 2 to 8 after 32 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.468775, 0.546626, 0.989349, 1.02405, 1.49704, 1.51158, 1.99991 elapsed time for k point: 0.008909225463867188 solve_kpoint (0.05,0,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. iteration 1: trace = 11.04206676724795 (0.320463% change) linmin: converged after 12 iterations. switching to approximate line minimization (decrease time by 59.4805%) iteration 2: trace = 11.02780400681842 (0.129251% change) iteration 3: trace = 11.0277151507041 (0.000805749% change) switching back to exact line minimization large trace change predicted (0.0933439%) linmin: converged after 10 iterations. iteration 4: trace = 11.01807811097046 (0.0874275% change) linmin: converged after 6 iterations. iteration 5: trace = 11.01665457684972 (0.0129208% change) linmin: converged after 7 iterations. iteration 6: trace = 11.01541385421837 (0.0112629% change) linmin: converged after 6 iterations. iteration 7: trace = 11.01434916803175 (0.00966589% change) linmin: converged after 6 iterations. iteration 8: trace = 11.01353606295636 (0.00738251% change) linmin: converged after 5 iterations. iteration 9: trace = 11.01298271300945 (0.0050244% change) linmin: converged after 7 iterations. iteration 10: trace = 11.01261247352549 (0.0033619% change) linmin: converged after 6 iterations. iteration 11: trace = 11.01235466812563 (0.00234103% change) linmin: converged after 6 iterations. iteration 12: trace = 11.01216593599476 (0.00171384% change) linmin: converged after 6 iterations. iteration 13: trace = 11.01202122017015 (0.00131415% change) linmin: converged after 5 iterations. iteration 14: trace = 11.01190567522232 (0.00104927% change) linmin: converged after 8 iterations. iteration 15: trace = 11.01181008058557 (0.000868106% change) linmin: converged after 5 iterations. iteration 16: trace = 11.01172843448798 (0.000741444% change) linmin: converged after 5 iterations. iteration 17: trace = 11.01165664743666 (0.000651917% change) linmin: converged after 5 iterations. iteration 18: trace = 11.01159180060341 (0.000588894% change) linmin: converged after 5 iterations. iteration 19: trace = 11.01153170823095 (0.000545721% change) linmin: converged after 5 iterations. iteration 20: trace = 11.01147464601623 (0.000518205% change) linmin: converged after 5 iterations. iteration 21: trace = 11.01141917637463 (0.000503745% change) linmin: converged after 8 iterations. iteration 22: trace = 11.01136403118311 (0.000500801% change) linmin: converged after 5 iterations. iteration 23: trace = 11.0113080300284 (0.000508577% change) linmin: converged after 7 iterations. iteration 24: trace = 11.01125002282378 (0.000526798% change) linmin: converged after 5 iterations. iteration 25: trace = 11.01118884877158 (0.000555561% change) linmin: converged after 5 iterations. iteration 26: trace = 11.01112331130928 (0.000595191% change) linmin: converged after 5 iterations. iteration 27: trace = 11.01105216640015 (0.000646121% change) linmin: converged after 7 iterations. iteration 28: trace = 11.01097412696238 (0.00070874% change) linmin: converged after 5 iterations. iteration 29: trace = 11.01088788115626 (0.000783274% change) linmin: converged after 5 iterations. iteration 30: trace = 11.01079213034578 (0.000869605% change) linmin: converged after 6 iterations. iteration 31: trace = 11.01068563599568 (0.000967186% change) linmin: converged after 6 iterations. iteration 32: trace = 11.0105672798349 (0.00107493% change) linmin: converged after 7 iterations. iteration 33: trace = 11.01043611589678 (0.00119126% change) linmin: converged after 6 iterations. iteration 34: trace = 11.0102914260717 (0.00131412% change) linmin: converged after 5 iterations. iteration 35: trace = 11.01013281082798 (0.00144062% change) linmin: converged after 5 iterations. iteration 36: trace = 11.00996017433071 (0.00156799% change) linmin: converged after 6 iterations. iteration 37: trace = 11.00977388819236 (0.00169199% change) linmin: converged after 8 iterations. iteration 38: trace = 11.00957482069737 (0.00180811% change) linmin: converged after 7 iterations. iteration 39: trace = 11.00936450574606 (0.00191031% change) linmin: converged after 8 iterations. iteration 40: trace = 11.00914494657749 (0.00199431% change) linmin: converged after 5 iterations. iteration 41: trace = 11.00891907079961 (0.00205173% change) linmin: converged after 5 iterations. iteration 42: trace = 11.00868992820095 (0.00208145% change) linmin: converged after 7 iterations. iteration 43: trace = 11.0084610207729 (0.00207936% change) linmin: converged after 8 iterations. iteration 44: trace = 11.00823553151991 (0.00204835% change) linmin: converged after 5 iterations. iteration 45: trace = 11.00801616073115 (0.00199281% change) linmin: converged after 7 iterations. iteration 46: trace = 11.00780458931563 (0.00192199% change) linmin: converged after 7 iterations. iteration 47: trace = 11.00760202913206 (0.00184017% change) linmin: converged after 6 iterations. iteration 48: trace = 11.0074088147543 (0.0017553% change) linmin: converged after 5 iterations. iteration 49: trace = 11.00722482686565 (0.00167151% change) linmin: converged after 5 iterations. iteration 50: trace = 11.00704971416591 (0.0015909% change) linmin: converged after 6 iterations. iteration 51: trace = 11.00688291286551 (0.00151542% change) linmin: converged after 9 iterations. iteration 52: trace = 11.00672381581312 (0.00144544% change) linmin: converged after 6 iterations. iteration 53: trace = 11.00657177801152 (0.00138133% change) linmin: converged after 7 iterations. iteration 54: trace = 11.00642622230592 (0.00132245% change) linmin: converged after 5 iterations. iteration 55: trace = 11.00628662219327 (0.00126836% change) linmin: converged after 5 iterations. iteration 56: trace = 11.00615254701339 (0.00121818% change) linmin: converged after 6 iterations. iteration 57: trace = 11.00602362152754 (0.0011714% change) linmin: converged after 9 iterations. iteration 58: trace = 11.00589954138344 (0.00112739% change) linmin: converged after 5 iterations. iteration 59: trace = 11.00578004108142 (0.00108579% change) linmin: converged after 5 iterations. iteration 60: trace = 11.0056649034526 (0.00104616% change) linmin: converged after 5 iterations. iteration 61: trace = 11.00555396148821 (0.00100805% change) linmin: converged after 6 iterations. iteration 62: trace = 11.00544706894379 (0.000971265% change) linmin: converged after 6 iterations. iteration 63: trace = 11.0053440988391 (0.000935633% change) linmin: converged after 5 iterations. iteration 64: trace = 11.00524493654742 (0.000901042% change) linmin: converged after 5 iterations. iteration 65: trace = 11.00514947469728 (0.000867425% change) linmin: converged after 5 iterations. iteration 66: trace = 11.00505760813085 (0.000834763% change) linmin: converged after 5 iterations. iteration 67: trace = 11.00496923186452 (0.000803055% change) linmin: converged after 5 iterations. iteration 68: trace = 11.00488423366102 (0.000772365% change) linmin: converged after 5 iterations. iteration 69: trace = 11.00480249816299 (0.000742723% change) resetting CG direction... large trace change predicted (0.115638%) linmin: converged after 7 iterations. iteration 70: trace = 10.99201733978708 (0.116246% change) linmin: converged after 6 iterations. iteration 71: trace = 10.9906195845533 (0.0127169% change) linmin: converged after 5 iterations. iteration 72: trace = 10.98948390090536 (0.0103337% change) linmin: converged after 6 iterations. iteration 73: trace = 10.98818698709606 (0.0118021% change) linmin: converged after 5 iterations. iteration 74: trace = 10.98802561671389 (0.00146859% change) linmin: converged after 8 iterations. iteration 75: trace = 10.98801515937071 (9.51704e-05% change) linmin: converged after 4 iterations. iteration 76: trace = 10.98801412692637 (9.3961e-06% change) linmin: converged after 4 iterations. iteration 77: trace = 10.98801409655126 (2.76439e-07% change) linmin: converged after 4 iterations. iteration 78: trace = 10.98801409331161 (2.94835e-08% change) linmin: converged after 27 iterations. iteration 79: trace = 10.98801409304081 (2.46457e-09% change) linmin: converged after 5 iterations. iteration 80: trace = 10.98801409321645 (1.59853e-09% change) linmin: converged after 8 iterations. iteration 81: trace = 10.98801409300248 (1.94731e-09% change) linmin: converged after 3 iterations. iteration 82: trace = 10.98801409299086 (1.05792e-10% change) large trace change predicted (2.54027e-10%) linmin: converged after 4 iterations. iteration 83: trace = 10.98801409308296 (8.3824e-10% change) linmin: converged after 3 iterations. iteration 84: trace = 10.98801409298807 (8.63621e-10% change) linmin: converged after 6 iterations. iteration 85: trace = 10.98801409291026 (7.08117e-10% change) linmin: converged after 3 iterations. iteration 86: trace = 10.98801409309741 (1.70325e-09% change) linmin: converged after 3 iterations. iteration 87: trace = 10.98801409289486 (1.84343e-09% change) linmin: converged after 3 iterations. iteration 88: trace = 10.9880140929281 (3.02585e-10% change) linmin: converged after 3 iterations. iteration 89: trace = 10.9880140930585 (1.18675e-09% change) linmin: converged after 5 iterations. iteration 90: trace = 10.98801409291235 (1.33012e-09% change) linmin: converged after 4 iterations. iteration 91: trace = 10.98801409295297 (3.69659e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 10.9880140928768 (6.93244e-10% change) linmin: converged after 34 iterations. iteration 93: trace = 10.98801409303981 (1.48355e-09% change) linmin: converged after 24 iterations. iteration 94: trace = 10.98801409295708 (7.52898e-10% change) linmin: converged after 4 iterations. iteration 95: trace = 10.98801409296666 (8.71849e-11% change) Finished solving for bands 1 to 8 after 95 iterations. tmfreqs:, 2, 0.05, 0, 0, 0.05, 0.0235585, 0.461962, 0.553534, 0.976586, 1.03685, 1.4784, 1.53022, 1.97778 elapsed time for k point: 0.03630352020263672 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 10.90376047195971 (0.00793523% change) linmin: converged after 3 iterations. iteration 2: trace = 10.90359831130582 (0.00148721% change) linmin: converged after 6 iterations. iteration 3: trace = 10.90350960520576 (0.000813552% change) linmin: converged after 10 iterations. switching to approximate line minimization (decrease time by 56.6572%) iteration 4: trace = 10.90345230356736 (0.000525535% change) iteration 5: trace = 10.90344655305382 (5.27403e-05% change) iteration 6: trace = 10.90344608444982 (4.29776e-06% change) iteration 7: trace = 10.90344604871889 (3.27703e-07% change) iteration 8: trace = 10.90344604735518 (1.25071e-08% change) iteration 9: trace = 10.90344604730737 (4.38507e-10% change) iteration 10: trace = 10.9034460473057 (1.52653e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 3, 0.1, 0, 0, 0.1, 0.047044, 0.445964, 0.569827, 0.954549, 1.059, 1.45407, 1.55459, 1.95293 elapsed time for k point: 0.003349781036376953 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.82874320275817 (0.0071366% change) linmin: converged after 3 iterations. iteration 2: trace = 10.82865179867177 (0.000844091% change) linmin: converged after 4 iterations. iteration 3: trace = 10.82863914929414 (0.000116814% change) linmin: converged after 5 iterations. iteration 4: trace = 10.82863201454649 (6.58878e-05% change) linmin: converged after 5 iterations. iteration 5: trace = 10.82863047385239 (1.4228e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 10.82863033630225 (1.27025e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 10.82863032427763 (1.11045e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 10.82863032376797 (4.7066e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.82863032375329 (1.35548e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 10.82863032375297 (2.98558e-12% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 4, 0.15, 0, 0, 0.15, 0.0703703, 0.426194, 0.590125, 0.931007, 1.08275, 1.42941, 1.5793, 1.92803 elapsed time for k point: 0.0038709640502929688 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.76383414066042 (0.00702665% change) linmin: converged after 4 iterations. iteration 2: trace = 10.76375283235578 (0.000755387% change) linmin: converged after 5 iterations. iteration 3: trace = 10.7637465832326 (5.80571e-05% change) linmin: converged after 5 iterations. iteration 4: trace = 10.76374528581932 (1.20535e-05% change) linmin: converged after 22 iterations. switching to approximate line minimization (decrease time by 70.2652%) iteration 5: trace = 10.76374486740369 (3.88727e-06% change) iteration 6: trace = 10.76374482182859 (4.23413e-07% change) iteration 7: trace = 10.76374481723281 (4.26968e-08% change) iteration 8: trace = 10.76374481699878 (2.17424e-09% change) iteration 9: trace = 10.76374481699274 (5.61272e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 5, 0.2, 0, 0, 0.2, 0.0934195, 0.40505, 0.612091, 0.907101, 1.10696, 1.40468, 1.6041, 1.90311 elapsed time for k point: 0.0035066604614257812 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.7089091897849 (0.00701169% change) linmin: converged after 4 iterations. iteration 2: trace = 10.70883098425326 (0.000730287% change) linmin: converged after 4 iterations. iteration 3: trace = 10.70882611989467 (4.54238e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.70882574797976 (3.47298e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.70882564389909 (9.71915e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.70882562957837 (1.33728e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.70882562792912 (1.54008e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.70882562781417 (1.07346e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.70882562781128 (2.69717e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 6, 0.25, 0, 0, 0.25, 0.11601, 0.383577, 0.634793, 0.883153, 1.13136, 1.37995, 1.62894, 1.8782 elapsed time for k point: 0.003499269485473633 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.66396644581557 (0.00701938% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6638895643872 (0.000720948% change) linmin: converged after 6 iterations. iteration 3: trace = 10.66388515749335 (4.13254e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.6638849780741 (1.68249e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.66388495145453 (2.49624e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.66388494762051 (3.59533e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 10.66388494718304 (4.10242e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 10.66388494713199 (4.78725e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.66388494713049 (1.40424e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 7, 0.3, 0, 0, 0.3, 0.137834, 0.362445, 0.657758, 0.859352, 1.15583, 1.35526, 1.65379, 1.8533 elapsed time for k point: 0.0035109519958496094 solve_kpoint (0.35,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.62900860023463 (0.00703179% change) linmin: converged after 4 iterations. iteration 2: trace = 10.62893239530691 (0.000716955% change) linmin: converged after 5 iterations. iteration 3: trace = 10.62892818217895 (3.96383e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.62892805633393 (1.18399e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.62892804707553 (8.71057e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.62892804604186 (9.72507e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.62892804597542 (6.2508e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.62892804596423 (1.05272e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.62892804596352 (6.71841e-12% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 8, 0.35, 0, 0, 0.35, 0.15832, 0.342396, 0.6806, 0.835947, 1.18029, 1.33065, 1.67864, 1.82841 elapsed time for k point: 0.0034906864166259766 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.60403759597599 (0.00704272% change) linmin: converged after 12 iterations. switching to approximate line minimization (decrease time by 59.4241%) iteration 2: trace = 10.60396176516587 (0.000715115% change) iteration 3: trace = 10.60395764730977 (3.88332e-05% change) iteration 4: trace = 10.60395754101102 (1.00244e-06% change) iteration 5: trace = 10.60395753615698 (4.57758e-08% change) iteration 6: trace = 10.60395753572879 (4.03799e-09% change) iteration 7: trace = 10.60395753570917 (1.85007e-10% change) iteration 8: trace = 10.6039575357088 (3.48438e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 9, 0.4, 0, 0, 0.4, 0.176334, 0.324651, 0.702682, 0.813501, 1.20459, 1.30625, 1.70347, 1.80356 elapsed time for k point: 0.0027768611907958984 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58905458874333 (0.00704958% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58897895638349 (0.000714253% change) linmin: converged after 5 iterations. iteration 3: trace = 10.58897488550179 (3.84445e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58897478737543 (9.26684e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58897478401991 (3.16889e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.58897478378886 (2.18196e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58897478377234 (1.55962e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.58897478377204 (2.88539e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 10, 0.45, 0, 0, 0.45, 0.189641, 0.31149, 0.722112, 0.793866, 1.22816, 1.28262, 1.72816, 1.77885 elapsed time for k point: 0.0031561851501464844 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58406017889885 (0.00705116% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58398461985988 (0.000713897% change) linmin: converged after 5 iterations. iteration 3: trace = 10.58398056403726 (3.83204e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58398046806651 (9.06755e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58398046509703 (2.80564e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.58398046493152 (1.56375e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58398046491724 (1.34939e-10% change) linmin: converged after 1 iterations. iteration 8: trace = 10.58398046491708 (1.49373e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 11, 0.5, 0, 0, 0.5, 0.194775, 0.306403, 0.73165, 0.784262, 1.2441, 1.26666, 1.74884, 1.75817 .elapsed time for k point: 0.0031745433807373047 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820304 at Vector3<0.5, 0.0, 0.0> Band 2 range: 0.30640302623084403 at Vector3<0.5, 0.0, 0.0> to 0.4687748525867002 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.546625750131681 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541638 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.784261590509381 at Vector3<0.5, 0.0, 0.0> to 0.9893486155437404 at Vector3<0.0, 0.0, 0.0> Band 5 range: 1.0240548648147167 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025873 at Vector3<0.5, 0.0, 0.0> Band 6 range: 1.2666566861855062 at Vector3<0.5, 0.0, 0.0> to 1.49703796969666 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.5115800994647821 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910504 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.758168320848361 at Vector3<0.5, 0.0, 0.0> to 1.9999072007374097 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.19477466366820304) to band 2 (0.30640302623084403), 44.546421284286% Gap from band 2 (0.4687748525867002) to band 3 (0.546625750131681), 15.33402626245487% Gap from band 3 (0.7316504426541638) to band 4 (0.784261590509381), 6.941187444158413% Gap from band 4 (0.9893486155437404) to band 5 (1.0240548648147167), 3.447520540174826% Gap from band 5 (1.2440980042025873) to band 6 (1.2666566861855062), 1.7969642410132811% Gap from band 6 (1.49703796969666) to band 7 (1.5115800994647821), 0.9666982936239057% Gap from band 7 (1.7488359039910504) to band 8 (1.758168320848361), 0.5322158890605788% total elapsed time for run: 0.0870356559753418 done /tmp/meepW1wGQn/test_bragg_sine-0: 0.09s /tmp/meepW1wGQn/test_compute_field_energy-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004641532897949219 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3520636558532715 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.032738208770752 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.22612261772155762 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20978641510009766 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.24272537231445312 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3782498836517334 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.2858912944793701 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.24317646026611328 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.20958328247070312 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.2004075050354004 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.2002255916595459 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.1581873893737793 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.18377375602722168 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.2516195774078369 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.29741573333740234 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6210122108459473 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.098953723907471 done Fixing h-field (band 8) phase by -1 + 2.64645e-07i; max ampl. = 4.48388 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 ./tmp/meepW1wGQn/test_compute_field_energy-0: 5.10s /tmp/meepW1wGQn/test_compute_group_velocity-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0047130584716796875 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.35802555084228516 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.0099425315856934 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.22109246253967285 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.2050619125366211 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.23735809326171875 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.36978816986083984 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.2795865535736084 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.2374272346496582 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.20493030548095703 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.19611549377441406 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.19578337669372559 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.15449309349060059 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.17954635620117188 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.24614644050598145 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2904069423675537 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.6324648857116699 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.0242698192596436 done /tmp/meepW1wGQn/test_compute_group_velocity-0: 5.03s /tmp/meepW1wGQn/test_compute_integrals-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.00473785400390625 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.35807132720947266 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.0101571083068848 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.22123408317565918 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20509004592895508 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.23730802536010742 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3699307441711426 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.27953124046325684 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.23772811889648438 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.204850435256958 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.19608545303344727 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.1958484649658203 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.15466523170471191 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.17960166931152344 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.2460498809814453 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2908172607421875 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6323761940002441 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.025374174118042 done Fixing h-field (band 8) phase by -1 + 2.64645e-07i; max ampl. = 4.48388 H-energy-components:, 16, 8, 0, 0, 1 Fixing e-field (band 8) phase by -6.12323e-17 + -1i; max ampl. = 1.10099 ./tmp/meepW1wGQn/test_compute_integrals-0: 5.04s /tmp/meepW1wGQn/test_diamond-0 ======================== Initializing eigensolver data Computing 5 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 16 x 16 x 16. Solving for 5 bands at a time. Creating Maxwell data... Mesh size is 5. Lattice vectors: (0, 0.5, 0.5) (0.5, 0, 0.5) (0.5, 0.5, 0) Cell volume = 0.25 Reciprocal lattice vectors (/ 2 pi): (-1, 1, 1) (1, -1, 1) (1, 1, -1) Geometric objects: sphere, center = (0.125,0.125,0.125) radius 0.25 sphere, center = (-0.125,-0.125,-0.125) radius 0.25 Geometric object tree has depth 4 and 35 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 31 k-points Vector3<0.0, 0.5, 0.5> Vector3<0.0, 0.525, 0.475> Vector3<0.0, 0.55, 0.45> Vector3<0.0, 0.575, 0.425> Vector3<0.0, 0.6, 0.4> Vector3<0.0, 0.625, 0.375> Vector3<0.0, 0.6, 0.3> Vector3<0.0, 0.575, 0.225> Vector3<0.0, 0.55, 0.15000000000000002> Vector3<0.0, 0.525, 0.07500000000000001> Vector3<0.0, 0.5, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.3, 0.0> Vector3<0.0, 0.19999999999999996, 0.0> Vector3<0.0, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.1> Vector3<0.0, 0.2, 0.2> Vector3<0.0, 0.30000000000000004, 0.30000000000000004> Vector3<0.0, 0.4, 0.4> Vector3<0.0, 0.5, 0.5> Vector3<0.05, 0.55, 0.5> Vector3<0.1, 0.6, 0.5> Vector3<0.15000000000000002, 0.65, 0.5> Vector3<0.2, 0.7, 0.5> Vector3<0.25, 0.75, 0.5> Vector3<0.275, 0.75, 0.475> Vector3<0.3, 0.75, 0.45> Vector3<0.325, 0.75, 0.425> Vector3<0.35, 0.75, 0.4> Vector3<0.375, 0.75, 0.375> elapsed time for initialization: 0.06087303161621094 solve_kpoint (0,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5 Solving for bands 1 to 5... near maximum in trace linmin: converged after 12 iterations. iteration 1: trace = 7.793809388876717 (194.671% change) linmin: converged after 8 iterations. iteration 2: trace = 1.602644292878243 (131.777% change) linmin: converged after 5 iterations. iteration 3: trace = 1.230444137489677 (26.2752% change) linmin: converged after 5 iterations. iteration 4: trace = 1.145863323821914 (7.11868% change) linmin: converged after 5 iterations. iteration 5: trace = 1.108732460474551 (3.29379% change) linmin: converged after 5 iterations. iteration 6: trace = 1.095242895867573 (1.22411% change) linmin: converged after 5 iterations. iteration 7: trace = 1.086567900224121 (0.795211% change) linmin: converged after 5 iterations. iteration 8: trace = 1.082571254980187 (0.368501% change) linmin: converged after 5 iterations. iteration 9: trace = 1.079681031773774 (0.267335% change) linmin: converged after 5 iterations. iteration 10: trace = 1.07784196185811 (0.17048% change) linmin: converged after 5 iterations. iteration 11: trace = 1.076589718661189 (0.116248% change) linmin: converged after 5 iterations. iteration 12: trace = 1.075741300120798 (0.0788372% change) linmin: converged after 5 iterations. iteration 13: trace = 1.075332005396718 (0.0380549% change) linmin: converged after 4 iterations. iteration 14: trace = 1.075088183570876 (0.0226767% change) linmin: converged after 4 iterations. iteration 15: trace = 1.074991682595674 (0.0089765% change) linmin: converged after 4 iterations. iteration 16: trace = 1.074947859516336 (0.00407668% change) linmin: converged after 4 iterations. iteration 17: trace = 1.074928276104172 (0.00182182% change) linmin: converged after 4 iterations. iteration 18: trace = 1.074920023198568 (0.000767766% change) linmin: converged after 4 iterations. iteration 19: trace = 1.074915815055656 (0.000391485% change) linmin: converged after 5 iterations. iteration 20: trace = 1.074913897245549 (0.000178415% change) linmin: converged after 5 iterations. iteration 21: trace = 1.074912797130557 (0.000102345% change) linmin: converged after 5 iterations. iteration 22: trace = 1.074912135440156 (6.15576e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.074911682476409 (4.21396e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.074911185373716 (4.62459e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.074910350283007 (7.76893e-05% change) large trace change predicted (0.000205026%) linmin: converged after 4 iterations. iteration 26: trace = 1.074908146483128 (0.000205022% change) large trace change predicted (0.000513652%) linmin: converged after 3 iterations. iteration 27: trace = 1.074902628261953 (0.000513368% change) linmin: converged after 9 iterations. iteration 28: trace = 1.074894274699316 (0.000777149% change) linmin: converged after 5 iterations. iteration 29: trace = 1.074885559312177 (0.000810817% change) linmin: converged after 7 iterations. iteration 30: trace = 1.074878751251453 (0.000633377% change) linmin: converged after 5 iterations. iteration 31: trace = 1.074871979346541 (0.000630018% change) linmin: converged after 4 iterations. iteration 32: trace = 1.074864290572777 (0.000715323% change) linmin: converged after 6 iterations. iteration 33: trace = 1.07485733572153 (0.000647047% change) linmin: converged after 6 iterations. iteration 34: trace = 1.074852611918806 (0.000439483% change) linmin: converged after 6 iterations. iteration 35: trace = 1.074850531092587 (0.000193592% change) linmin: converged after 5 iterations. iteration 36: trace = 1.07484970770801 (7.66046e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.07484940132168 (2.8505e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 1.074849273654882 (1.18776e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 1.074849202666283 (6.60452e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 1.074849166432875 (3.37102e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 1.074849150239508 (1.50657e-06% change) linmin: converged after 2 iterations. iteration 42: trace = 1.074849143715024 (6.07014e-07% change) linmin: converged after 4 iterations. iteration 43: trace = 1.074849140933439 (2.58788e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 1.074849139366325 (1.45799e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 1.074849138485025 (8.19928e-08% change) linmin: converged after 2 iterations. iteration 46: trace = 1.074849138034107 (4.19518e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 1.074849137805414 (2.12768e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 1.074849137683515 (1.1341e-08% change) linmin: converged after 2 iterations. iteration 49: trace = 1.074849137606228 (7.19042e-09% change) linmin: converged after 2 iterations. iteration 50: trace = 1.074849137561238 (4.1857e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 1.074849137540568 (1.92311e-09% change) linmin: converged after 4 iterations. iteration 52: trace = 1.074849137533233 (6.82423e-10% change) linmin: converged after 6 iterations. iteration 53: trace = 1.074849137531048 (2.03215e-10% change) linmin: converged after 4 iterations. iteration 54: trace = 1.074849137530273 (7.21591e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 1, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 elapsed time for k point: 0.9627089500427246 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.075858895008861 (0.603183% change) linmin: converged after 5 iterations. iteration 2: trace = 1.073482649233196 (0.221114% change) linmin: converged after 4 iterations. iteration 3: trace = 1.07251725092952 (0.0899719% change) linmin: converged after 4 iterations. iteration 4: trace = 1.072267318354764 (0.0233061% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072198684383286 (0.00640103% change) linmin: converged after 4 iterations. iteration 6: trace = 1.072184614558891 (0.00131225% change) linmin: converged after 5 iterations. iteration 7: trace = 1.072176813450151 (0.000727593% change) linmin: converged after 5 iterations. iteration 8: trace = 1.072174588828334 (0.000207487% change) linmin: converged after 5 iterations. iteration 9: trace = 1.072173275832936 (0.000122461% change) linmin: converged after 4 iterations. iteration 10: trace = 1.0721727927339 (4.50579e-05% change) linmin: converged after 8 iterations. iteration 11: trace = 1.072172507140247 (2.66369e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 1.072172093457799 (3.85836e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.072171277807908 (7.60746e-05% change) large trace change predicted (0.000180553%) linmin: converged after 11 iterations. iteration 14: trace = 1.072169342024218 (0.000180548% change) linmin: converged after 11 iterations. iteration 15: trace = 1.072167408079798 (0.000180377% change) linmin: converged after 5 iterations. iteration 16: trace = 1.072166456175024 (8.87833e-05% change) linmin: converged after 6 iterations. iteration 17: trace = 1.072165970167082 (4.53295e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072165682214342 (2.68571e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.072165408275144 (2.55501e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.072165207652332 (1.87119e-05% change) linmin: converged after 6 iterations. iteration 21: trace = 1.072165103678032 (9.6976e-06% change) linmin: converged after 7 iterations. iteration 22: trace = 1.072165061729343 (3.91252e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.072165050577689 (1.04011e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.072165047945184 (2.45532e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.072165047308091 (5.94212e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.072165047160102 (1.38029e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.072165047103967 (5.23559e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.072165047075594 (2.64636e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.072165047058599 (1.58514e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 1.072165047048057 (9.83245e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 1.072165047042512 (5.17148e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.072165047039761 (2.56555e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 1.072165047038645 (1.04171e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 1.072165047038117 (4.91654e-11% change) Finished solving for bands 1 to 5 after 34 iterations. freqs:, 2, 0, 0.525, 0.475, 1.0025, 0.380386, 0.382168, 0.495624, 0.497176, 0.537208 elapsed time for k point: 0.6066925525665283 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.068440465955023 (0.573523% change) linmin: converged after 5 iterations. iteration 2: trace = 1.066480807378516 (0.183581% change) linmin: converged after 4 iterations. iteration 3: trace = 1.065774667451858 (0.0662341% change) linmin: converged after 4 iterations. iteration 4: trace = 1.065585967189266 (0.017707% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065530753656307 (0.00518165% change) linmin: converged after 4 iterations. iteration 6: trace = 1.065516120690618 (0.00137331% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065506870595333 (0.000868137% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065504384660139 (0.00023331% change) linmin: converged after 6 iterations. iteration 9: trace = 1.065503073425323 (0.000123062% change) linmin: converged after 2 iterations. iteration 10: trace = 1.065502572080128 (4.70525e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 1.065502157688833 (3.88916e-05% change) linmin: converged after 17 iterations. iteration 12: trace = 1.065501551221799 (5.69184e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.06550087858034 (6.31291e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 1.0655002478982 (5.91912e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.065499909229769 (3.17849e-05% change) linmin: converged after 6 iterations. iteration 16: trace = 1.065499690823551 (2.0498e-05% change) linmin: converged after 6 iterations. iteration 17: trace = 1.065499506927576 (1.72591e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.065499383728584 (1.15626e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.065499315698547 (6.3848e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.065499294220947 (2.01573e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.065499288548669 (5.32359e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.065499287022417 (1.43243e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.065499286677922 (3.23318e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.065499286595516 (7.73408e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.065499286570304 (2.36622e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 1.065499286559614 (1.0033e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.065499286551555 (7.56348e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.065499286546967 (4.30606e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 1.065499286545303 (1.56088e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 1.065499286544841 (4.34087e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 3, 0, 0.55, 0.45, 1.00995, 0.380966, 0.38483, 0.496711, 0.498342, 0.526501 elapsed time for k point: 0.536217212677002 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.059540504499842 (0.530657% change) linmin: converged after 4 iterations. iteration 2: trace = 1.057983549162331 (0.147054% change) linmin: converged after 4 iterations. iteration 3: trace = 1.057502090061084 (0.0455176% change) linmin: converged after 4 iterations. iteration 4: trace = 1.057358559151858 (0.0135736% change) linmin: converged after 4 iterations. iteration 5: trace = 1.057314691599105 (0.00414887% change) linmin: converged after 4 iterations. iteration 6: trace = 1.057300876211775 (0.00130666% change) linmin: converged after 5 iterations. iteration 7: trace = 1.057292723697773 (0.000771071% change) linmin: converged after 4 iterations. iteration 8: trace = 1.057291059108315 (0.000157439% change) linmin: converged after 4 iterations. iteration 9: trace = 1.057290409949662 (6.13983e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.057290221443791 (1.78291e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 1.05729011202787 (1.03487e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 1.057289958935507 (1.44797e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.057289789269168 (1.60473e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057289654908308 (1.2708e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 1.057289604665514 (4.75204e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.057289590705038 (1.3204e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.057289585702302 (4.73166e-07% change) linmin: converged after 22 iterations. iteration 18: trace = 1.057289583780867 (1.81732e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.057289582678029 (1.04308e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.057289582066727 (5.78178e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.05728958183277 (2.2128e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.057289581749868 (7.84092e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 1.057289581718883 (2.93063e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.057289581697571 (2.01573e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057289581676836 (1.96116e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 1.057289581662593 (1.34711e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057289581656747 (5.52964e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.057289581655311 (1.35752e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.057289581654964 (3.2825e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 4, 0, 0.575, 0.425, 1.02225, 0.381461, 0.388864, 0.498536, 0.500287, 0.511601 elapsed time for k point: 0.5192458629608154 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.05110064881248 (0.506611% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049691285819856 (0.134174% change) linmin: converged after 4 iterations. iteration 3: trace = 1.049314899106254 (0.0358633% change) linmin: converged after 4 iterations. iteration 4: trace = 1.049185433171061 (0.0123389% change) linmin: converged after 4 iterations. iteration 5: trace = 1.049147911037179 (0.00357637% change) linmin: converged after 4 iterations. iteration 6: trace = 1.049135854259493 (0.0011492% change) linmin: converged after 5 iterations. iteration 7: trace = 1.049129471310915 (0.000608402% change) linmin: converged after 3 iterations. iteration 8: trace = 1.049128247387461 (0.000116661% change) linmin: converged after 2 iterations. iteration 9: trace = 1.04912779156911 (4.34474e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.049127676629702 (1.09557e-05% change) linmin: converged after 13 iterations. iteration 11: trace = 1.049127634484831 (4.01713e-06% change) linmin: converged after 15 iterations. iteration 12: trace = 1.049127595483487 (3.7175e-06% change) linmin: converged after 21 iterations. iteration 13: trace = 1.04912755411624 (3.94301e-06% change) linmin: converged after 29 iterations. iteration 14: trace = 1.049127517065814 (3.53155e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.049127502744462 (1.36507e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.049127499460312 (3.13036e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.049127498551341 (8.66407e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 1.049127498234712 (3.01802e-08% change) linmin: converged after 11 iterations. iteration 19: trace = 1.049127497940213 (2.80709e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 1.049127497468462 (4.4966e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.049127497017247 (4.30086e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.049127496798796 (2.08221e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.049127496735694 (6.01473e-09% change) linmin: converged after 7 iterations. iteration 24: trace = 1.049127496715389 (1.93541e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.049127496707383 (7.63156e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 1.049127496704077 (3.15079e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 1.049127496702446 (1.55518e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.049127496701628 (7.79072e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 5, 0, 0.6, 0.4, 1.03923, 0.381077, 0.393446, 0.49495, 0.501109, 0.503014 elapsed time for k point: 0.5019526481628418 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.04345921672128 (0.506828% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041988342828251 (0.141061% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041637917013372 (0.0336361% change) linmin: converged after 4 iterations. iteration 4: trace = 1.04150010817982 (0.0132309% change) linmin: converged after 4 iterations. iteration 5: trace = 1.04146653880127 (0.00322323% change) linmin: converged after 4 iterations. iteration 6: trace = 1.041456832908973 (0.000931949% change) linmin: converged after 6 iterations. iteration 7: trace = 1.041452129686075 (0.000451601% change) linmin: converged after 3 iterations. iteration 8: trace = 1.041451113409399 (9.75827e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.041450688275344 (4.08213e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.041450583335679 (1.00763e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 1.041450551023643 (3.1026e-06% change) linmin: converged after 11 iterations. iteration 12: trace = 1.041450527028412 (2.30402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 1.041450494527917 (3.1207e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 1.041450435394961 (5.67794e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 1.04145038449574 (4.88734e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.041450353324275 (2.99308e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.041450318415071 (3.35198e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 1.041450255970052 (5.99597e-06% change) linmin: converged after 13 iterations. iteration 19: trace = 1.04145014273396 (1.08729e-05% change) linmin: converged after 11 iterations. iteration 20: trace = 1.041450060666069 (7.88016e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.041450032793379 (2.67633e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.041450025149674 (7.33948e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.041450023239039 (1.83459e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.041450022517455 (6.92865e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.041450022090025 (4.10419e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.041450021597011 (4.73392e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.041450020726601 (8.35768e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 1.041450019065772 (1.59473e-07% change) large trace change predicted (4.189e-07%) linmin: converged after 2 iterations. iteration 29: trace = 1.041450014703135 (4.189e-07% change) large trace change predicted (1.19651e-06%) linmin: converged after 13 iterations. iteration 30: trace = 1.041450002242192 (1.1965e-06% change) large trace change predicted (3.27802e-06%) linmin: converged after 3 iterations. iteration 31: trace = 1.041449968105022 (3.27785e-06% change) large trace change predicted (7.60991e-06%) linmin: converged after 3 iterations. iteration 32: trace = 1.041449888872018 (7.60795e-06% change) linmin: converged after 3 iterations. iteration 33: trace = 1.041449762143226 (1.21685e-05% change) linmin: converged after 7 iterations. iteration 34: trace = 1.041449617733212 (1.38662e-05% change) linmin: converged after 12 iterations. iteration 35: trace = 1.041449518800444 (9.49953e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 1.041449483215326 (3.41688e-06% change) linmin: converged after 8 iterations. iteration 37: trace = 1.041449473025223 (9.78454e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 1.041449470385784 (2.53439e-07% change) linmin: converged after 10 iterations. iteration 39: trace = 1.041449469588908 (7.65161e-08% change) linmin: converged after 6 iterations. iteration 40: trace = 1.04144946928733 (2.89575e-08% change) linmin: converged after 19 iterations. iteration 41: trace = 1.041449469189162 (9.42613e-09% change) linmin: converged after 16 iterations. iteration 42: trace = 1.04144946916008 (2.79242e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 1.041449469152548 (7.2322e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 1.041449469150328 (2.13122e-10% change) linmin: converged after 4 iterations. iteration 45: trace = 1.04144946914945 (8.43235e-11% change) Finished solving for bands 1 to 5 after 45 iterations. freqs:, 6, 0, 0.625, 0.375, 1.06066, 0.378621, 0.396729, 0.479263, 0.504432, 0.506514 elapsed time for k point: 0.7991447448730469 Fixing d-field (band 1) phase by 0.997721 + 0.0674729i; max ampl. = 12.9762 D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Outputting /tmp/meepW1wGQn/test_diamond-0-dpwr.k06.b01.h5... D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Fixing d-field (band 2) phase by 0.997721 + 0.0674729i; max ampl. = 12.1515 D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Outputting /tmp/meepW1wGQn/test_diamond-0-dpwr.k06.b02.h5... D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Fixing d-field (band 3) phase by 0.0674729 + -0.997721i; max ampl. = 13.3616 D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Outputting /tmp/meepW1wGQn/test_diamond-0-dpwr.k06.b03.h5... D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Fixing d-field (band 4) phase by 0.997721 + 0.0674729i; max ampl. = 7.97915 D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Outputting /tmp/meepW1wGQn/test_diamond-0-dpwr.k06.b04.h5... D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Fixing d-field (band 5) phase by -0.997721 + -0.0674729i; max ampl. = 12.8979 D-energy-components:, 6, 5, 0.238579, 0.435374, 0.326046 Outputting /tmp/meepW1wGQn/test_diamond-0-dpwr.k06.b05.h5... D-energy-components:, 6, 5, 0.238579, 0.435374, 0.326046 solve_kpoint (0,0.6,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.03966544598363 (2.28714% change) linmin: converged after 5 iterations. iteration 2: trace = 1.031261741455533 (0.811589% change) linmin: converged after 5 iterations. iteration 3: trace = 1.027058255520216 (0.408439% change) linmin: converged after 5 iterations. iteration 4: trace = 1.020314520510316 (0.65877% change) linmin: converged after 4 iterations. iteration 5: trace = 1.016895451902864 (0.335662% change) linmin: converged after 4 iterations. iteration 6: trace = 1.013850701146736 (0.299865% change) linmin: converged after 4 iterations. iteration 7: trace = 1.012826541664509 (0.101068% change) linmin: converged after 3 iterations. iteration 8: trace = 1.012456630932499 (0.0365293% change) linmin: converged after 3 iterations. iteration 9: trace = 1.012302653565692 (0.0152094% change) linmin: converged after 3 iterations. iteration 10: trace = 1.012263470108045 (0.0038708% change) linmin: converged after 4 iterations. iteration 11: trace = 1.012248751204044 (0.00145407% change) linmin: converged after 4 iterations. iteration 12: trace = 1.012243323312613 (0.000536223% change) linmin: converged after 4 iterations. iteration 13: trace = 1.01223924283045 (0.000403114% change) linmin: converged after 6 iterations. iteration 14: trace = 1.012234289044163 (0.00048939% change) linmin: converged after 5 iterations. iteration 15: trace = 1.012226176760606 (0.000801427% change) linmin: converged after 5 iterations. iteration 16: trace = 1.012212339539792 (0.00136702% change) linmin: converged after 7 iterations. iteration 17: trace = 1.012198494678878 (0.00136779% change) linmin: converged after 5 iterations. iteration 18: trace = 1.012188204907584 (0.00101658% change) linmin: converged after 4 iterations. iteration 19: trace = 1.012182979166117 (0.000516283% change) linmin: converged after 5 iterations. iteration 20: trace = 1.012180431886301 (0.000251662% change) linmin: converged after 5 iterations. iteration 21: trace = 1.012179050265376 (0.0001365% change) linmin: converged after 5 iterations. iteration 22: trace = 1.012178436832454 (6.06052e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.012178138308135 (2.94933e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 1.012178008609866 (1.28138e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 1.012177948013878 (5.98669e-06% change) linmin: converged after 16 iterations. iteration 26: trace = 1.012177914414897 (3.31947e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 1.01217789939853 (1.48357e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.012177891703023 (7.60292e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.01217788801167 (3.64694e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 1.012177886482546 (1.51073e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.012177885943443 (5.32617e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 1.012177885797331 (1.44354e-08% change) linmin: converged after 2 iterations. iteration 33: trace = 1.012177885757121 (3.97265e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 1.012177885742625 (1.43209e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 1.012177885736515 (6.03649e-10% change) linmin: converged after 2 iterations. iteration 36: trace = 1.012177885733496 (2.98325e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 1.012177885731932 (1.54526e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 1.01217788573071 (1.20721e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.012177885728825 (1.86182e-10% change) large trace change predicted (3.79782e-10%) linmin: converged after 4 iterations. iteration 40: trace = 1.012177885724981 (3.79845e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.012177885719435 (5.47906e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 1.012177885715908 (3.48386e-10% change) linmin: converged after 5 iterations. iteration 43: trace = 1.012177885714413 (1.47704e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 1.012177885713608 (7.95447e-11% change) Finished solving for bands 1 to 5 after 44 iterations. freqs:, 7, 0, 0.6, 0.3, 0.994987, 0.369582, 0.388559, 0.467091, 0.487657, 0.518291 elapsed time for k point: 0.7852256298065186 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9915573055180973 (2.26017% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9866607516794119 (0.495047% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9859151345720908 (0.0755983% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9856473004081361 (0.0271697% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9855722861009923 (0.00761095% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9855592500250571 (0.0013227% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9855531508572 (0.000618855% change) linmin: converged after 6 iterations. iteration 8: trace = 0.9855520633529831 (0.000110345% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9855516310523984 (4.38638e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 0.9855514450624938 (1.88717e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.9855513230136078 (1.23838e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9855511986811414 (1.26155e-05% change) linmin: converged after 10 iterations. iteration 13: trace = 0.9855510508803551 (1.49968e-05% change) large trace change predicted (3.62683e-05%) linmin: converged after 21 iterations. iteration 14: trace = 0.9855506934429183 (3.62678e-05% change) large trace change predicted (0.000117862%) linmin: converged after 4 iterations. iteration 15: trace = 0.98554953211009 (0.000117836% change) large trace change predicted (0.00166434%) linmin: converged after 6 iterations. iteration 16: trace = 0.9855348566080333 (0.00148908% change) near maximum in trace linmin: converged after 8 iterations. iteration 17: trace = 0.9854855129821605 (0.00500691% change) linmin: converged after 6 iterations. iteration 18: trace = 0.9854692403407219 (0.00165124% change) linmin: converged after 4 iterations. iteration 19: trace = 0.9854542301424387 (0.00152316% change) linmin: converged after 5 iterations. iteration 20: trace = 0.9854392649783726 (0.00151862% change) linmin: converged after 8 iterations. iteration 21: trace = 0.9854239722879894 (0.00155188% change) linmin: converged after 5 iterations. iteration 22: trace = 0.9854083686430439 (0.00158346% change) linmin: converged after 6 iterations. iteration 23: trace = 0.9853925745417742 (0.00160281% change) linmin: converged after 12 iterations. iteration 24: trace = 0.9853765736834315 (0.00162382% change) linmin: converged after 6 iterations. iteration 25: trace = 0.9853601707631732 (0.00166465% change) linmin: converged after 10 iterations. iteration 26: trace = 0.9853431513895392 (0.00172724% change) linmin: converged after 5 iterations. iteration 27: trace = 0.9853255049442867 (0.00179091% change) linmin: converged after 5 iterations. iteration 28: trace = 0.9853075659347904 (0.00182063% change) linmin: converged after 4 iterations. iteration 29: trace = 0.9852899523072771 (0.00178764% change) linmin: converged after 4 iterations. iteration 30: trace = 0.9852733058580112 (0.00168951% change) linmin: converged after 4 iterations. iteration 31: trace = 0.9852580373455477 (0.00154968% change) linmin: converged after 5 iterations. iteration 32: trace = 0.9852442579473493 (0.00139857% change) linmin: converged after 5 iterations. iteration 33: trace = 0.9852318660058825 (0.00125776% change) linmin: converged after 4 iterations. iteration 34: trace = 0.9852206652737805 (0.00113687% change) linmin: converged after 5 iterations. iteration 35: trace = 0.9852104469705267 (0.00103716% change) linmin: converged after 4 iterations. iteration 36: trace = 0.9852010299752856 (0.00095584% change) linmin: converged after 4 iterations. iteration 37: trace = 0.9851922738958632 (0.000888765% change) linmin: converged after 5 iterations. iteration 38: trace = 0.9851840782967661 (0.000831882% change) linmin: converged after 6 iterations. iteration 39: trace = 0.985176375955114 (0.000781821% change) linmin: converged after 4 iterations. iteration 40: trace = 0.9851691241961815 (0.00073609% change) linmin: converged after 4 iterations. iteration 41: trace = 0.9851622963654603 (0.000693064% change) linmin: converged after 4 iterations. iteration 42: trace = 0.9851558745170317 (0.000651859% change) linmin: converged after 5 iterations. iteration 43: trace = 0.9851498438427753 (0.000612156% change) linmin: converged after 5 iterations. iteration 44: trace = 0.985144188970561 (0.000574013% change) linmin: converged after 5 iterations. iteration 45: trace = 0.9851388919623104 (0.00053769% change) linmin: converged after 4 iterations. iteration 46: trace = 0.9851339316567991 (0.000503515% change) linmin: converged after 7 iterations. iteration 47: trace = 0.9851292839334744 (0.000471787% change) linmin: converged after 7 iterations. iteration 48: trace = 0.9851249224998229 (0.000442728% change) linmin: converged after 6 iterations. iteration 49: trace = 0.9851208198875874 (0.000416457% change) linmin: converged after 5 iterations. iteration 50: trace = 0.9851169484588294 (0.000392991% change) linmin: converged after 6 iterations. iteration 51: trace = 0.9851132812119895 (0.000372266% change) linmin: converged after 6 iterations. iteration 52: trace = 0.985109792565563 (0.000354137% change) linmin: converged after 11 iterations. iteration 53: trace = 0.9851064587702354 (0.000338419% change) linmin: converged after 6 iterations. iteration 54: trace = 0.9851032582912147 (0.000324887% change) linmin: converged after 5 iterations. iteration 55: trace = 0.9851001719947023 (0.000313297% change) linmin: converged after 9 iterations. iteration 56: trace = 0.9850971832326234 (0.000303397% change) linmin: converged after 8 iterations. iteration 57: trace = 0.9850942778670944 (0.000294932% change) linmin: converged after 5 iterations. iteration 58: trace = 0.9850914441941014 (0.000287655% change) linmin: converged after 6 iterations. iteration 59: trace = 0.9850886728364642 (0.00028133% change) linmin: converged after 5 iterations. iteration 60: trace = 0.9850859565986467 (0.000275736% change) linmin: converged after 9 iterations. iteration 61: trace = 0.9850832902707605 (0.00027067% change) linmin: converged after 5 iterations. iteration 62: trace = 0.9850806704177091 (0.000265953% change) linmin: converged after 7 iterations. iteration 63: trace = 0.9850780951185574 (0.000261431% change) linmin: converged after 5 iterations. iteration 64: trace = 0.9850755637094046 (0.000256976% change) linmin: converged after 5 iterations. iteration 65: trace = 0.985073076492889 (0.00025249% change) linmin: converged after 6 iterations. iteration 66: trace = 0.9850706344801803 (0.000247902% change) linmin: converged after 5 iterations. iteration 67: trace = 0.9850682391150458 (0.000243167% change) linmin: converged after 5 iterations. iteration 68: trace = 0.9850658920344948 (0.000238266% change) linmin: converged after 5 iterations. iteration 69: trace = 0.9850635948596473 (0.0002332% change) resetting CG direction... large trace change predicted (0.0412896%) linmin: converged after 4 iterations. iteration 70: trace = 0.984656325523755 (0.041353% change) linmin: converged after 4 iterations. iteration 71: trace = 0.9844601773666521 (0.0199225% change) linmin: converged after 6 iterations. iteration 72: trace = 0.9843700914447615 (0.00915121% change) linmin: converged after 5 iterations. iteration 73: trace = 0.9843454545683346 (0.00250284% change) linmin: converged after 5 iterations. iteration 74: trace = 0.9843309742350468 (0.00147107% change) linmin: converged after 4 iterations. iteration 75: trace = 0.9843269360282532 (0.00041025% change) linmin: converged after 8 iterations. iteration 76: trace = 0.9843259255069874 (0.000102661% change) linmin: converged after 3 iterations. iteration 77: trace = 0.9843252602637673 (6.75837e-05% change) linmin: converged after 9 iterations. iteration 78: trace = 0.9843249585453159 (3.06523e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 0.9843248269950425 (1.33645e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 0.9843247642090374 (6.37859e-06% change) linmin: converged after 22 iterations. iteration 81: trace = 0.9843247334061864 (3.12934e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 0.9843247239553152 (9.60138e-07% change) linmin: converged after 4 iterations. iteration 83: trace = 0.9843247200053553 (4.01286e-07% change) linmin: converged after 4 iterations. iteration 84: trace = 0.9843247177546304 (2.28657e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 0.9843247140338691 (3.78001e-07% change) large trace change predicted (8.16928e-07%) linmin: converged after 4 iterations. iteration 86: trace = 0.9843247059926199 (8.16931e-07% change) large trace change predicted (1.83735e-06%) linmin: converged after 24 iterations. iteration 87: trace = 0.9843246879072705 (1.83734e-06% change) linmin: converged after 4 iterations. iteration 88: trace = 0.9843246566927373 (3.17116e-06% change) linmin: converged after 4 iterations. iteration 89: trace = 0.984324620560088 (3.67081e-06% change) linmin: converged after 3 iterations. iteration 90: trace = 0.9843246064915121 (1.42926e-06% change) linmin: converged after 5 iterations. iteration 91: trace = 0.9843246017421399 (4.82501e-07% change) linmin: converged after 4 iterations. iteration 92: trace = 0.984324600281294 (1.48411e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 0.9843245999240549 (3.62928e-08% change) linmin: converged after 2 iterations. iteration 94: trace = 0.9843245998040846 (1.21881e-08% change) linmin: converged after 12 iterations. iteration 95: trace = 0.9843245997561454 (4.87026e-09% change) linmin: converged after 3 iterations. iteration 96: trace = 0.9843245997431105 (1.32425e-09% change) linmin: converged after 3 iterations. iteration 97: trace = 0.9843245997404727 (2.67979e-10% change) linmin: converged after 3 iterations. iteration 98: trace = 0.984324599739663 (8.2258e-11% change) Finished solving for bands 1 to 5 after 98 iterations. freqs:, 8, 0, 0.575, 0.225, 0.940744, 0.356415, 0.3702, 0.457212, 0.470085, 0.538723 elapsed time for k point: 1.7262091636657715 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9646769163164528 (2.39738% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9596027655338775 (0.527382% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9585165712767634 (0.113256% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9579432893173676 (0.0598272% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9577534782753632 (0.0198164% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9577044743171426 (0.00511668% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9576786087183842 (0.00270083% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9576698781077508 (0.000911647% change) linmin: converged after 7 iterations. iteration 9: trace = 0.9576629132514309 (0.000727274% change) linmin: converged after 4 iterations. iteration 10: trace = 0.9576596029470927 (0.000345665% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9576578418293289 (0.000183898% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9576568119890789 (0.000107537% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9576563729745443 (4.58426e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 0.957656162945967 (2.19315e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9576560823123558 (8.41989e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9576560023111305 (8.35386e-06% change) linmin: converged after 10 iterations. iteration 17: trace = 0.9576558845387972 (1.2298e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 0.9576557606447442 (1.29372e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 0.9576556898705211 (7.39036e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9576556668427278 (2.4046e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9576556603473546 (6.78258e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.957655658603457 (1.82101e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9576556582296476 (3.90338e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 0.9576556581384019 (9.52803e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 0.9576556581169036 (2.24489e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 0.9576556581121095 (5.00603e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 0.957655658110724 (1.44682e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 0.9576556581103904 (3.48258e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 9, 0, 0.55, 0.15, 0.9, 0.344555, 0.351994, 0.449598, 0.455588, 0.552575 elapsed time for k point: 0.5013008117675781 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.947933687224783 (2.3896% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9430867597589778 (0.512626% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9419818739497792 (0.117225% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9413709083767424 (0.0648806% change) linmin: converged after 4 iterations. iteration 5: trace = 0.94117848964582 (0.0204424% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9411437673693821 (0.0036893% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9411282197636364 (0.001652% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9411228844439856 (0.000566908% change) linmin: converged after 5 iterations. iteration 9: trace = 0.9411177224092385 (0.000548499% change) linmin: converged after 4 iterations. iteration 10: trace = 0.9411142194219506 (0.000372216% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9411125302486758 (0.000179487% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9411116700161433 (9.1406e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 0.9411114151349261 (2.7083e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9411113125577948 (1.08996e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9411112840456918 (3.02962e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9411112731924909 (1.15323e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 0.9411112675855362 (5.9578e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 0.9411112644312158 (3.3517e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9411112620729419 (2.50584e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9411112600571749 (2.1419e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9411112586302735 (1.51619e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 0.9411112579896637 (6.80695e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9411112578179177 (1.82493e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 0.9411112577748101 (4.5805e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 0.9411112577644285 (1.10312e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 0.941111257762292 (2.2702e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 0.9411112577617193 (6.08486e-11% change) Finished solving for bands 1 to 5 after 27 iterations. freqs:, 10, 0, 0.525, 0.075, 0.874643, 0.336533, 0.339294, 0.444662, 0.446211, 0.562057 elapsed time for k point: 0.4843921661376953 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 0.9431496225335675 (2.3985% change) linmin: converged after 5 iterations. iteration 2: trace = 0.9380796204968432 (0.539009% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9367721035397285 (0.13948% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9359917825716044 (0.0833336% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9357711657243534 (0.0235732% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9357390464145803 (0.00343245% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9357282065214858 (0.00115844% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9357260906567765 (0.00022612% change) linmin: converged after 5 iterations. iteration 9: trace = 0.9357251462394751 (0.000100929% change) linmin: converged after 2 iterations. iteration 10: trace = 0.9357245153926681 (6.7418e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9357241186857086 (4.23957e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 0.9357237683382202 (3.74413e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9357236170895102 (1.61638e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9357235495974374 (7.21282e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9357235309444167 (1.99343e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9357235256266041 (5.6831e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9357235236195182 (2.14496e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9357235229374912 (7.28877e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9357235227208476 (2.31525e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9357235226594706 (6.55931e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 0.9357235226426091 (1.80198e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 0.935723522637135 (5.85009e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9357235226350262 (2.25361e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9357235226340188 (1.07662e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 0.9357235226332381 (8.34337e-11% change) Finished solving for bands 1 to 5 after 25 iterations. freqs:, 11, 0, 0.5, 0, 0.866025, 0.333545, 0.334937, 0.442371, 0.443555, 0.565558 elapsed time for k point: 0.4492490291595459 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 0.9531656172628549 (2.95521% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9465651869299541 (0.694881% change) linmin: converged after 3 iterations. iteration 3: trace = 0.9460975825934672 (0.0494123% change) linmin: converged after 4 iterations. iteration 4: trace = 0.945850302717143 (0.0261402% change) linmin: converged after 5 iterations. iteration 5: trace = 0.9458090123517053 (0.00436552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9457956329513783 (0.00141461% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9457917144911248 (0.000414304% change) linmin: converged after 7 iterations. iteration 8: trace = 0.9457908288631007 (9.36388e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9457904833985176 (3.65265e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.9457903738934367 (1.15782e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 0.9457903287957025 (4.76826e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 0.9457903098667402 (2.00139e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.9457903008332886 (9.55122e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9457902938373162 (7.39696e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9457902889826177 (5.13295e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9457902856358915 (3.53855e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9457902842649587 (1.44951e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9457902838788894 (4.08198e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9457902837821097 (1.02327e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9457902837614061 (2.18903e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 0.9457902837571438 (4.50656e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 0.9457902837561432 (1.058e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 0.9457902837559162 (2.39936e-11% change) Finished solving for bands 1 to 5 after 23 iterations. freqs:, 12, 0, 0.4, 0, 0.69282, 0.299948, 0.301256, 0.47018, 0.471285, 0.567351 elapsed time for k point: 0.41419053077697754 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. iteration 1: trace = 0.9838330564810258 (2.82864% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9767698261613439 (0.720516% change) linmin: converged after 3 iterations. iteration 3: trace = 0.9759908342477707 (0.0797837% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9754521141781249 (0.0552125% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9753439239667977 (0.0110919% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9752879087036517 (0.00574329% change) linmin: converged after 4 iterations. iteration 7: trace = 0.975272037997844 (0.0016273% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9752675452795116 (0.000460664% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9752661173619962 (0.000146413% change) linmin: converged after 3 iterations. iteration 10: trace = 0.9752657982803925 (3.27174e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9752656737712369 (1.27667e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.9752655986569858 (7.70193e-06% change) linmin: converged after 16 iterations. iteration 13: trace = 0.9752655199382702 (8.07152e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 0.9752654586050871 (6.28887e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9752654363667232 (2.28024e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 0.9752654288851421 (7.67133e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9752654270617322 (1.86965e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9752654266193413 (4.53611e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9752654264923923 (1.30169e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 0.9752654264573497 (3.59314e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 0.9752654264468775 (1.07378e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 0.9752654264434997 (3.46352e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 0.9752654264424234 (1.10355e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 0.9752654264419824 (4.52165e-11% change) Finished solving for bands 1 to 5 after 24 iterations. freqs:, 13, 0, 0.3, 0, 0.519615, 0.235132, 0.236238, 0.517406, 0.518221, 0.572633 elapsed time for k point: 0.4316883087158203 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.031310457523734 (2.74381% change) linmin: converged after 4 iterations. iteration 2: trace = 1.023001395899818 (0.808939% change) linmin: converged after 4 iterations. iteration 3: trace = 1.020944596103241 (0.201258% change) linmin: converged after 5 iterations. iteration 4: trace = 1.019196682336282 (0.171352% change) linmin: converged after 4 iterations. iteration 5: trace = 1.01871807777781 (0.04697% change) linmin: converged after 3 iterations. iteration 6: trace = 1.01830827474636 (0.0402354% change) linmin: converged after 4 iterations. iteration 7: trace = 1.01817658520817 (0.012933% change) linmin: converged after 4 iterations. iteration 8: trace = 1.018122381585512 (0.00532374% change) linmin: converged after 3 iterations. iteration 9: trace = 1.018108141501873 (0.00139867% change) linmin: converged after 4 iterations. iteration 10: trace = 1.018104688377129 (0.000339171% change) linmin: converged after 4 iterations. iteration 11: trace = 1.018103724639142 (9.46601e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 1.018103471304836 (2.4883e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.018103337799608 (1.31131e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.018103254441713 (8.18757e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 1.018103204661021 (4.88955e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 1.018103175566673 (2.8577e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.018103161363193 (1.39509e-06% change) linmin: converged after 9 iterations. iteration 18: trace = 1.01810315235713 (8.84592e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.018103147246923 (5.01934e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.018103144530306 (2.66831e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 1.0181031434335 (1.0773e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.018103143020111 (4.06038e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.018103142868821 (1.486e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 1.018103142826691 (4.13807e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.018103142813702 (1.27582e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.018103142809131 (4.49039e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 1.018103142807084 (2.01019e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 1.018103142806043 (1.02244e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 1.018103142805606 (4.29432e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 14, 0, 0.2, 0, 0.34641, 0.160616, 0.161417, 0.560554, 0.560855, 0.580923 elapsed time for k point: 0.5231304168701172 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... linmin: converged after 13 iterations. iteration 1: trace = 1.077079219746511 (2.88237% change) linmin: converged after 5 iterations. iteration 2: trace = 1.066262027913723 (1.00938% change) linmin: converged after 6 iterations. iteration 3: trace = 1.059824264961399 (0.605598% change) linmin: converged after 5 iterations. iteration 4: trace = 1.05645444669096 (0.318466% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055117395208551 (0.12664% change) linmin: converged after 5 iterations. iteration 6: trace = 1.053973327355023 (0.108489% change) linmin: converged after 4 iterations. iteration 7: trace = 1.053442526154031 (0.0503746% change) linmin: converged after 4 iterations. iteration 8: trace = 1.053206381323667 (0.022419% change) linmin: converged after 3 iterations. iteration 9: trace = 1.053116219819057 (0.00856103% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053071769632634 (0.00422091% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053056103822096 (0.00148764% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053047222792955 (0.000843361% change) linmin: converged after 4 iterations. iteration 13: trace = 1.053042139517095 (0.000482722% change) linmin: converged after 4 iterations. iteration 14: trace = 1.053037941124889 (0.000398693% change) linmin: converged after 5 iterations. iteration 15: trace = 1.053035343144194 (0.000246713% change) linmin: converged after 5 iterations. iteration 16: trace = 1.053034079936019 (0.000119959% change) linmin: converged after 5 iterations. iteration 17: trace = 1.053033595937305 (4.59623e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.053033362151884 (2.22011e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 1.053033220626459 (1.34398e-05% change) linmin: converged after 12 iterations. iteration 20: trace = 1.053033136182064 (8.01916e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.053033092857321 (4.11428e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053033069955849 (2.17481e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 1.053033056567473 (1.27141e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.053033050086928 (6.15417e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 1.053033046929929 (2.99801e-07% change) linmin: converged after 6 iterations. iteration 26: trace = 1.053033045492598 (1.36494e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 1.053033044713346 (7.40008e-08% change) linmin: converged after 7 iterations. iteration 28: trace = 1.053033044195626 (4.91646e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 1.053033043811553 (3.6473e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 1.053033043579927 (2.19961e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 1.053033043469696 (1.04679e-08% change) linmin: converged after 9 iterations. iteration 32: trace = 1.053033043429306 (3.83566e-09% change) linmin: converged after 6 iterations. iteration 33: trace = 1.053033043415642 (1.29752e-09% change) linmin: converged after 13 iterations. iteration 34: trace = 1.053033043410167 (5.19943e-10% change) linmin: converged after 7 iterations. iteration 35: trace = 1.053033043407261 (2.75934e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.053033043404638 (2.49091e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 1.053033043402352 (2.17082e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 1.053033043401229 (1.06654e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.053033043400833 (3.76178e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 15, 0, 0.1, 0, 0.173205, 0.0813864, 0.0818061, 0.587706, 0.587881, 0.59052 elapsed time for k point: 0.6944773197174072 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.125418509204462 (26.786% change) linmin: converged after 5 iterations. iteration 2: trace = 1.086199374689766 (3.54665% change) linmin: converged after 4 iterations. iteration 3: trace = 1.07743384060803 (0.810261% change) linmin: converged after 5 iterations. iteration 4: trace = 1.07091642240416 (0.606737% change) linmin: converged after 5 iterations. iteration 5: trace = 1.067955177231192 (0.276898% change) linmin: converged after 4 iterations. iteration 6: trace = 1.066404296467623 (0.145325% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065591405105875 (0.0762564% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065169288341134 (0.0396212% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064947504768375 (0.0208236% change) linmin: converged after 4 iterations. iteration 10: trace = 1.064821092340383 (0.011871% change) linmin: converged after 4 iterations. iteration 11: trace = 1.064775779630065 (0.00425552% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064759862322819 (0.00149491% change) linmin: converged after 4 iterations. iteration 13: trace = 1.064754343598673 (0.000518308% change) linmin: converged after 4 iterations. iteration 14: trace = 1.064752586160356 (0.000165056% change) linmin: converged after 6 iterations. iteration 15: trace = 1.064751934186258 (6.12325e-05% change) linmin: converged after 15 iterations. iteration 16: trace = 1.064751716375265 (2.04565e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064751641473042 (7.03471e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.064751608763355 (3.07205e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 1.064751594444125 (1.34484e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064751588378949 (5.69633e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.06475158506591 (3.11156e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.064751582775823 (2.15082e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.064751581427306 (1.26651e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.06475158086334 (5.29669e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.064751580697912 (1.55368e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064751580656119 (3.92518e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.064751580642669 (1.26318e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.064751580638188 (4.20878e-10% change) linmin: converged after 7 iterations. iteration 29: trace = 1.064751580636454 (1.62829e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 1.064751580635716 (6.92565e-11% change) Finished solving for bands 3 to 5 after 30 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.59559, 0.595819, 0.595839 elapsed time for k point: 0.285189151763916 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... linmin: converged after 10 iterations. iteration 1: trace = 1.08313912399332 (4.15252% change) linmin: converged after 7 iterations. iteration 2: trace = 1.067759464050459 (1.43007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.058743055847471 (0.848004% change) linmin: converged after 4 iterations. iteration 4: trace = 1.055821359692879 (0.27634% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055194292753233 (0.059409% change) linmin: converged after 4 iterations. iteration 6: trace = 1.05451570710269 (0.0643298% change) linmin: converged after 4 iterations. iteration 7: trace = 1.054199358517805 (0.0300039% change) linmin: converged after 4 iterations. iteration 8: trace = 1.054015026128709 (0.0174871% change) linmin: converged after 4 iterations. iteration 9: trace = 1.053945642710517 (0.00658299% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053916462348825 (0.00276872% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053905508373106 (0.00103936% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053902318616982 (0.000302661% change) linmin: converged after 9 iterations. iteration 13: trace = 1.053901410289627 (8.61871e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.053901190385469 (2.08657e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.053901094722954 (9.07699e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.053901042329599 (4.97137e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.053901016387602 (2.46152e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.053901002297734 (1.33693e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.053900994619984 (7.28508e-07% change) linmin: converged after 7 iterations. iteration 20: trace = 1.053900989320627 (5.02832e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.053900987123133 (2.0851e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053900986524408 (5.68104e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.053900986366482 (1.49849e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 1.053900986325054 (3.93092e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.053900986310452 (1.38553e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 1.053900986303698 (6.40808e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 1.05390098630058 (2.95849e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.053900986298915 (1.57974e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 1.053900986298103 (7.70908e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 17, 0, 0.1, 0.1, 0.2, 0.09409, 0.0944497, 0.585515, 0.585945, 0.591581 elapsed time for k point: 0.5187995433807373 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.065595398926532 (3.90048% change) linmin: converged after 6 iterations. iteration 2: trace = 1.055450127300122 (0.956629% change) linmin: converged after 4 iterations. iteration 3: trace = 1.052399474004519 (0.289456% change) linmin: converged after 4 iterations. iteration 4: trace = 1.051047423635811 (0.128556% change) linmin: converged after 4 iterations. iteration 5: trace = 1.050891451863414 (0.0148408% change) linmin: converged after 4 iterations. iteration 6: trace = 1.050820039910526 (0.0067956% change) linmin: converged after 4 iterations. iteration 7: trace = 1.050776389407834 (0.00415403% change) linmin: converged after 3 iterations. iteration 8: trace = 1.050735518700082 (0.00388965% change) linmin: converged after 9 iterations. iteration 9: trace = 1.050712406629527 (0.00219963% change) linmin: converged after 5 iterations. iteration 10: trace = 1.050703645182199 (0.000833861% change) linmin: converged after 5 iterations. iteration 11: trace = 1.050700527947628 (0.000296681% change) linmin: converged after 5 iterations. iteration 12: trace = 1.050699532774884 (9.47152e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 1.050699177150717 (3.38464e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.050699067583423 (1.0428e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.05069902685378 (3.87643e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.050699005022337 (2.0778e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 1.050698989966915 (1.4329e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.050698977063514 (1.22808e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.050698967444913 (9.15448e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.050698960362372 (6.74079e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.050698956757338 (3.43108e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.050698955164585 (1.5159e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.050698954594422 (5.42651e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 1.050698954368867 (2.14671e-08% change) linmin: converged after 16 iterations. iteration 25: trace = 1.050698954208976 (1.52177e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.050698954069499 (1.32747e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.050698953980484 (8.47198e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.050698953945821 (3.29899e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 1.050698953935615 (9.71338e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 1.050698953931686 (3.74012e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 1.050698953929971 (1.6321e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 1.050698953929234 (7.01194e-11% change) Finished solving for bands 1 to 5 after 32 iterations. freqs:, 18, 0, 0.2, 0.2, 0.4, 0.185559, 0.18625, 0.566601, 0.567223, 0.582064 elapsed time for k point: 0.5718317031860352 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.088279540873549 (4.02105% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078010312383155 (0.948094% change) linmin: converged after 3 iterations. iteration 3: trace = 1.076219990626862 (0.166215% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075124540387688 (0.101839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.074888810319138 (0.0219282% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074611210358772 (0.0258293% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074337620664561 (0.0254627% change) linmin: converged after 4 iterations. iteration 8: trace = 1.074133138557718 (0.0190351% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074051063054055 (0.00764138% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074029420989964 (0.00201501% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074020142121586 (0.000863934% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074016815860833 (0.000309702% change) linmin: converged after 5 iterations. iteration 13: trace = 1.074015086574427 (0.000161011% change) linmin: converged after 5 iterations. iteration 14: trace = 1.074014221795597 (8.05183e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.07401342148332 (7.4516e-05% change) large trace change predicted (0.000149807%) linmin: converged after 4 iterations. iteration 16: trace = 1.074011812469472 (0.000149813% change) large trace change predicted (0.000490882%) linmin: converged after 12 iterations. iteration 17: trace = 1.074006542454385 (0.000490686% change) large trace change predicted (0.00906198%) linmin: converged after 6 iterations. iteration 18: trace = 1.073941701030199 (0.00603752% change) large trace change predicted (0.0314784%) linmin: converged after 11 iterations. iteration 19: trace = 1.073871054635028 (0.00657845% change) linmin: converged after 7 iterations. iteration 20: trace = 1.073836865036405 (0.00318382% change) linmin: converged after 4 iterations. iteration 21: trace = 1.073810051806227 (0.00249699% change) linmin: converged after 4 iterations. iteration 22: trace = 1.073786930250791 (0.00215325% change) linmin: converged after 6 iterations. iteration 23: trace = 1.073765951860753 (0.0019537% change) linmin: converged after 5 iterations. iteration 24: trace = 1.073746099970405 (0.00184883% change) linmin: converged after 4 iterations. iteration 25: trace = 1.073726549712548 (0.00182077% change) linmin: converged after 6 iterations. iteration 26: trace = 1.073706652744471 (0.00185309% change) linmin: converged after 5 iterations. iteration 27: trace = 1.073686048124228 (0.00191904% change) linmin: converged after 4 iterations. iteration 28: trace = 1.073664807588662 (0.0019783% change) linmin: converged after 5 iterations. iteration 29: trace = 1.073643487675201 (0.00198573% change) linmin: converged after 4 iterations. iteration 30: trace = 1.073622933128204 (0.00191449% change) linmin: converged after 4 iterations. iteration 31: trace = 1.073603845421311 (0.00177789% change) linmin: converged after 4 iterations. iteration 32: trace = 1.073586422667823 (0.00162284% change) linmin: converged after 4 iterations. iteration 33: trace = 1.0735703376909 (0.00149826% change) linmin: converged after 4 iterations. iteration 34: trace = 1.073554964316648 (0.001432% change) linmin: converged after 4 iterations. iteration 35: trace = 1.073539629227186 (0.00142845% change) linmin: converged after 4 iterations. iteration 36: trace = 1.073523800691462 (0.00147444% change) linmin: converged after 4 iterations. iteration 37: trace = 1.073507219285168 (0.00154459% change) linmin: converged after 5 iterations. iteration 38: trace = 1.073489950162039 (0.00160868% change) linmin: converged after 4 iterations. iteration 39: trace = 1.073472300886368 (0.00164412% change) linmin: converged after 4 iterations. iteration 40: trace = 1.073454608281045 (0.00164818% change) linmin: converged after 4 iterations. iteration 41: trace = 1.073437014094127 (0.00163904% change) linmin: converged after 4 iterations. iteration 42: trace = 1.07341936421778 (0.00164425% change) linmin: converged after 4 iterations. iteration 43: trace = 1.073401253484782 (0.00168721% change) linmin: converged after 4 iterations. iteration 44: trace = 1.073382150517239 (0.00177968% change) linmin: converged after 4 iterations. iteration 45: trace = 1.073361544559057 (0.00191974% change) linmin: converged after 4 iterations. iteration 46: trace = 1.073339087200757 (0.00209227% change) linmin: converged after 4 iterations. iteration 47: trace = 1.07331470024964 (0.00227209% change) linmin: converged after 6 iterations. iteration 48: trace = 1.073288606291201 (0.00243119% change) linmin: converged after 6 iterations. iteration 49: trace = 1.073261256188169 (0.00254828% change) linmin: converged after 4 iterations. iteration 50: trace = 1.073233184110945 (0.00261562% change) linmin: converged after 4 iterations. iteration 51: trace = 1.073204865865797 (0.00263863% change) linmin: converged after 4 iterations. iteration 52: trace = 1.073176644091958 (0.00262971% change) linmin: converged after 4 iterations. iteration 53: trace = 1.07314873129092 (0.00260099% change) linmin: converged after 4 iterations. iteration 54: trace = 1.073121259747359 (0.00255993% change) linmin: converged after 4 iterations. iteration 55: trace = 1.073094339111988 (0.00250866% change) linmin: converged after 4 iterations. iteration 56: trace = 1.073068095571904 (0.00244562% change) linmin: converged after 4 iterations. iteration 57: trace = 1.07304268347988 (0.0023682% change) linmin: converged after 4 iterations. iteration 58: trace = 1.07301827307964 (0.0022749% change) linmin: converged after 4 iterations. iteration 59: trace = 1.072995025136865 (0.00216662% change) linmin: converged after 4 iterations. iteration 60: trace = 1.072973065004589 (0.00204664% change) linmin: converged after 5 iterations. iteration 61: trace = 1.072952465717665 (0.00191985% change) linmin: converged after 6 iterations. iteration 62: trace = 1.07293324413904 (0.00179148% change) linmin: converged after 4 iterations. iteration 63: trace = 1.07291536869795 (0.00166605% change) linmin: converged after 4 iterations. iteration 64: trace = 1.072898773927236 (0.00154671% change) linmin: converged after 5 iterations. iteration 65: trace = 1.072883376336986 (0.00143515% change) linmin: converged after 5 iterations. iteration 66: trace = 1.072869087397268 (0.00133183% change) linmin: converged after 6 iterations. iteration 67: trace = 1.072855821402041 (0.0012365% change) linmin: converged after 4 iterations. iteration 68: trace = 1.072843497915731 (0.00114867% change) linmin: converged after 4 iterations. iteration 69: trace = 1.072832039956668 (0.001068% change) resetting CG direction... large trace change predicted (0.0590983%) linmin: converged after 3 iterations. iteration 70: trace = 1.072198123028309 (0.0591056% change) linmin: converged after 5 iterations. iteration 71: trace = 1.071347118912312 (0.0794016% change) linmin: converged after 5 iterations. iteration 72: trace = 1.070541465282449 (0.0752283% change) linmin: converged after 5 iterations. iteration 73: trace = 1.069893831574437 (0.0605142% change) linmin: converged after 4 iterations. iteration 74: trace = 1.069675879302338 (0.0203735% change) linmin: converged after 4 iterations. iteration 75: trace = 1.069604565241298 (0.00666711% change) linmin: converged after 4 iterations. iteration 76: trace = 1.069582041278033 (0.00210584% change) linmin: converged after 4 iterations. iteration 77: trace = 1.069571765036171 (0.000960776% change) linmin: converged after 3 iterations. iteration 78: trace = 1.06956988683984 (0.000175603% change) linmin: converged after 3 iterations. iteration 79: trace = 1.069568934571142 (8.90329e-05% change) linmin: converged after 5 iterations. iteration 80: trace = 1.069568397382368 (5.02248e-05% change) linmin: converged after 16 iterations. iteration 81: trace = 1.069567984274629 (3.86238e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 1.069567784171246 (1.87088e-05% change) linmin: converged after 5 iterations. iteration 83: trace = 1.069567559605897 (2.09959e-05% change) linmin: converged after 6 iterations. iteration 84: trace = 1.069567395324578 (1.53596e-05% change) linmin: converged after 4 iterations. iteration 85: trace = 1.069567279688332 (1.08115e-05% change) linmin: converged after 4 iterations. iteration 86: trace = 1.069567202426508 (7.22365e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 1.06956712373461 (7.35736e-06% change) linmin: converged after 4 iterations. iteration 88: trace = 1.069566990371342 (1.24689e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 1.06956680643449 (1.71973e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 1.069566611505887 (1.8225e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 1.069566258369085 (3.30168e-05% change) linmin: converged after 3 iterations. iteration 92: trace = 1.069565649808786 (5.68979e-05% change) large trace change predicted (0.000165076%) linmin: converged after 5 iterations. iteration 93: trace = 1.069563887315842 (0.000164786% change) large trace change predicted (0.000584356%) linmin: converged after 8 iterations. iteration 94: trace = 1.069557814977692 (0.000567741% change) large trace change predicted (0.00613018%) linmin: converged after 7 iterations. iteration 95: trace = 1.069531838744205 (0.00242872% change) linmin: converged after 7 iterations. iteration 96: trace = 1.06951157980661 (0.00189421% change) linmin: converged after 5 iterations. iteration 97: trace = 1.069496500217748 (0.00140996% change) linmin: converged after 6 iterations. iteration 98: trace = 1.069483717546478 (0.00119521% change) linmin: converged after 13 iterations. iteration 99: trace = 1.069471278304419 (0.00116311% change) linmin: converged after 8 iterations. iteration 100: trace = 1.069459234379826 (0.00112616% change) linmin: converged after 9 iterations. iteration 101: trace = 1.069448851497151 (0.000970858% change) linmin: converged after 6 iterations. iteration 102: trace = 1.069440423063527 (0.000788113% change) linmin: converged after 6 iterations. iteration 103: trace = 1.069433416341306 (0.000655179% change) linmin: converged after 6 iterations. iteration 104: trace = 1.069427351793225 (0.000567082% change) linmin: converged after 5 iterations. iteration 105: trace = 1.069421992100354 (0.000501175% change) linmin: converged after 6 iterations. iteration 106: trace = 1.069417237441078 (0.000444602% change) linmin: converged after 6 iterations. iteration 107: trace = 1.069413021851166 (0.000394196% change) linmin: converged after 7 iterations. iteration 108: trace = 1.069409271990326 (0.000350647% change) linmin: converged after 7 iterations. iteration 109: trace = 1.069405908120262 (0.000314555% change) linmin: converged after 5 iterations. iteration 110: trace = 1.069402856527323 (0.000285354% change) linmin: converged after 8 iterations. iteration 111: trace = 1.069400057728429 (0.000261716% change) linmin: converged after 7 iterations. iteration 112: trace = 1.069397467909461 (0.000242175% change) linmin: converged after 6 iterations. iteration 113: trace = 1.069395055213939 (0.000225613% change) linmin: converged after 5 iterations. iteration 114: trace = 1.069392795678975 (0.000211291% change) linmin: converged after 8 iterations. iteration 115: trace = 1.069390668107868 (0.000198952% change) linmin: converged after 6 iterations. iteration 116: trace = 1.069388651902275 (0.000188538% change) linmin: converged after 7 iterations. iteration 117: trace = 1.069386725586216 (0.000180133% change) linmin: converged after 9 iterations. iteration 118: trace = 1.069384867477778 (0.000173755% change) linmin: converged after 9 iterations. iteration 119: trace = 1.069383056477252 (0.00016935% change) linmin: converged after 6 iterations. iteration 120: trace = 1.069381273502549 (0.000166729% change) linmin: converged after 6 iterations. iteration 121: trace = 1.069379502771464 (0.000165585% change) linmin: converged after 5 iterations. iteration 122: trace = 1.069377732698694 (0.000165523% change) linmin: converged after 5 iterations. iteration 123: trace = 1.069375956554321 (0.000166092% change) linmin: converged after 5 iterations. iteration 124: trace = 1.069374172650716 (0.000166817% change) linmin: converged after 11 iterations. iteration 125: trace = 1.069372383852369 (0.000167275% change) linmin: converged after 3 iterations. iteration 126: trace = 1.069370596678517 (0.000167124% change) linmin: converged after 7 iterations. iteration 127: trace = 1.069368819948199 (0.000166147% change) linmin: converged after 4 iterations. iteration 128: trace = 1.069367063374544 (0.000164263% change) linmin: converged after 6 iterations. iteration 129: trace = 1.069365336156312 (0.000161518% change) linmin: converged after 6 iterations. iteration 130: trace = 1.069363645966842 (0.000158056% change) linmin: converged after 6 iterations. iteration 131: trace = 1.069361998221409 (0.000154087% change) linmin: converged after 6 iterations. iteration 132: trace = 1.069360396070954 (0.000149823% change) linmin: converged after 5 iterations. iteration 133: trace = 1.06935884036409 (0.00014548% change) linmin: converged after 3 iterations. iteration 134: trace = 1.069357330205554 (0.000141221% change) linmin: converged after 5 iterations. iteration 135: trace = 1.069355863381258 (0.000137169% change) linmin: converged after 8 iterations. iteration 136: trace = 1.069354436918244 (0.000133395% change) linmin: converged after 4 iterations. iteration 137: trace = 1.069353047530624 (0.000129928% change) linmin: converged after 4 iterations. iteration 138: trace = 1.069351692050176 (0.000126757% change) linmin: converged after 8 iterations. iteration 139: trace = 1.069350367750705 (0.000123841% change) resetting CG direction... large trace change predicted (0.0145456%) linmin: converged after 4 iterations. iteration 140: trace = 1.06919467100397 (0.014561% change) linmin: converged after 3 iterations. iteration 141: trace = 1.06911722475291 (0.00724368% change) linmin: converged after 4 iterations. iteration 142: trace = 1.069075430174322 (0.00390934% change) linmin: converged after 3 iterations. iteration 143: trace = 1.069028115153495 (0.00442589% change) linmin: converged after 6 iterations. iteration 144: trace = 1.068963767427667 (0.00601945% change) linmin: converged after 4 iterations. iteration 145: trace = 1.068914037928403 (0.00465223% change) linmin: converged after 8 iterations. iteration 146: trace = 1.06885669867521 (0.0053644% change) linmin: converged after 4 iterations. iteration 147: trace = 1.068800654064632 (0.00524355% change) linmin: converged after 5 iterations. iteration 148: trace = 1.068757369464654 (0.00404991% change) linmin: converged after 5 iterations. iteration 149: trace = 1.068717413887113 (0.00373858% change) linmin: converged after 6 iterations. iteration 150: trace = 1.068678928193861 (0.00360118% change) linmin: converged after 6 iterations. iteration 151: trace = 1.068654687207261 (0.00226834% change) linmin: converged after 5 iterations. iteration 152: trace = 1.068642739093036 (0.00111806% change) linmin: converged after 4 iterations. iteration 153: trace = 1.068637175817919 (0.000520594% change) linmin: converged after 4 iterations. iteration 154: trace = 1.068633794040136 (0.000316458% change) linmin: converged after 7 iterations. iteration 155: trace = 1.068631061756121 (0.00025568% change) linmin: converged after 5 iterations. iteration 156: trace = 1.068628610288755 (0.000229403% change) linmin: converged after 5 iterations. iteration 157: trace = 1.068627264728137 (0.000125915% change) linmin: converged after 8 iterations. iteration 158: trace = 1.068626757583506 (4.74576e-05% change) linmin: converged after 19 iterations. iteration 159: trace = 1.068626630691499 (1.18743e-05% change) linmin: converged after 4 iterations. iteration 160: trace = 1.068626598186754 (3.04173e-06% change) linmin: converged after 4 iterations. iteration 161: trace = 1.06862658352384 (1.37213e-06% change) linmin: converged after 19 iterations. iteration 162: trace = 1.068626572373217 (1.04345e-06% change) linmin: converged after 3 iterations. iteration 163: trace = 1.068626562835572 (8.92514e-07% change) linmin: converged after 8 iterations. iteration 164: trace = 1.068626555546729 (6.82076e-07% change) linmin: converged after 12 iterations. iteration 165: trace = 1.068626551017934 (4.23796e-07% change) linmin: converged after 17 iterations. iteration 166: trace = 1.068626547263381 (3.51344e-07% change) linmin: converged after 26 iterations. iteration 167: trace = 1.068626545004511 (2.11381e-07% change) linmin: converged after 9 iterations. iteration 168: trace = 1.068626543628884 (1.28729e-07% change) linmin: converged after 4 iterations. iteration 169: trace = 1.068626542454349 (1.09911e-07% change) linmin: converged after 4 iterations. iteration 170: trace = 1.068626540770593 (1.57563e-07% change) large trace change predicted (3.15141e-07%) linmin: converged after 4 iterations. iteration 171: trace = 1.068626537403142 (3.1512e-07% change) linmin: converged after 3 iterations. iteration 172: trace = 1.068626533720242 (3.44639e-07% change) linmin: converged after 4 iterations. iteration 173: trace = 1.068626531661106 (1.9269e-07% change) linmin: converged after 12 iterations. iteration 174: trace = 1.068626530814089 (7.92622e-08% change) linmin: converged after 5 iterations. iteration 175: trace = 1.06862653049415 (2.99392e-08% change) linmin: converged after 6 iterations. iteration 176: trace = 1.068626530329371 (1.54197e-08% change) linmin: converged after 3 iterations. iteration 177: trace = 1.06862653025605 (6.86123e-09% change) linmin: converged after 4 iterations. iteration 178: trace = 1.068626530160083 (8.98043e-09% change) large trace change predicted (2.12689e-08%) linmin: converged after 5 iterations. iteration 179: trace = 1.068626529933518 (2.12015e-08% change) linmin: converged after 4 iterations. iteration 180: trace = 1.068626529552614 (3.56443e-08% change) linmin: converged after 5 iterations. iteration 181: trace = 1.06862652897383 (5.41615e-08% change) linmin: converged after 4 iterations. iteration 182: trace = 1.068626528428106 (5.10678e-08% change) linmin: converged after 8 iterations. iteration 183: trace = 1.068626527727323 (6.55779e-08% change) linmin: converged after 21 iterations. iteration 184: trace = 1.068626526903805 (7.70633e-08% change) linmin: converged after 4 iterations. iteration 185: trace = 1.068626526189178 (6.68734e-08% change) linmin: converged after 4 iterations. iteration 186: trace = 1.068626525702674 (4.55261e-08% change) linmin: converged after 4 iterations. iteration 187: trace = 1.068626525447893 (2.3842e-08% change) linmin: converged after 5 iterations. iteration 188: trace = 1.068626525377783 (6.56073e-09% change) linmin: converged after 3 iterations. iteration 189: trace = 1.06862652535197 (2.41554e-09% change) linmin: converged after 3 iterations. iteration 190: trace = 1.068626525338405 (1.26936e-09% change) linmin: converged after 3 iterations. iteration 191: trace = 1.068626525324783 (1.27472e-09% change) linmin: converged after 3 iterations. iteration 192: trace = 1.06862652531004 (1.37963e-09% change) linmin: converged after 8 iterations. iteration 193: trace = 1.068626525302953 (6.63229e-10% change) linmin: converged after 4 iterations. iteration 194: trace = 1.068626525299715 (3.0293e-10% change) linmin: converged after 4 iterations. iteration 195: trace = 1.068626525298943 (7.23092e-11% change) Finished solving for bands 1 to 5 after 195 iterations. freqs:, 19, 0, 0.3, 0.3, 0.6, 0.271029, 0.271988, 0.546939, 0.547286, 0.567915 elapsed time for k point: 3.4238555431365967 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.096763739684353 (4.83164% change) linmin: converged after 4 iterations. iteration 2: trace = 1.082691277230665 (1.29137% change) linmin: converged after 3 iterations. iteration 3: trace = 1.079957258300182 (0.25284% change) linmin: converged after 5 iterations. iteration 4: trace = 1.077647734926141 (0.214082% change) linmin: converged after 4 iterations. iteration 5: trace = 1.076735252419185 (0.0847094% change) linmin: converged after 5 iterations. iteration 6: trace = 1.075213698395945 (0.141412% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074492218821965 (0.0671236% change) linmin: converged after 3 iterations. iteration 8: trace = 1.074213739470234 (0.0259207% change) linmin: converged after 3 iterations. iteration 9: trace = 1.074138188248275 (0.00703341% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074123932233326 (0.00132721% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074120393731525 (0.000329432% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074119608457392 (7.31086e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.074119350201093 (2.40435e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.074119193441899 (1.45942e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 1.074119086974298 (9.91208e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 1.074118998457295 (8.24089e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074118951618519 (4.36067e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074118930564299 (1.96014e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.074118922698229 (7.32328e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074118920434768 (2.10727e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074118919547883 (8.25686e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.074118918877465 (6.24156e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 1.074118918120042 (7.05158e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.074118917268487 (7.92794e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074118916472646 (7.40924e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.07411891507088 (1.30504e-07% change) large trace change predicted (3.47232e-07%) linmin: converged after 2 iterations. iteration 27: trace = 1.074118911341192 (3.47232e-07% change) large trace change predicted (1.06056e-06%) linmin: converged after 2 iterations. iteration 28: trace = 1.074118899949483 (1.06056e-06% change) large trace change predicted (3.74519e-06%) linmin: converged after 3 iterations. iteration 29: trace = 1.074118859723686 (3.745e-06% change) large trace change predicted (2.30152e-05%) linmin: converged after 4 iterations. iteration 30: trace = 1.074118613543625 (2.29193e-05% change) near maximum in trace linmin: converged after 10 iterations. iteration 31: trace = 1.074108655164721 (0.000927125% change) linmin: converged after 15 iterations. iteration 32: trace = 1.074107964897693 (6.42642e-05% change) linmin: converged after 9 iterations. iteration 33: trace = 1.074107272926852 (6.44229e-05% change) linmin: converged after 7 iterations. iteration 34: trace = 1.074106572035457 (6.52534e-05% change) linmin: converged after 10 iterations. iteration 35: trace = 1.074105853329495 (6.6912e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 1.074105110154241 (6.91902e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 1.074104339346647 (7.17628e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 1.074103541756224 (7.42564e-05% change) linmin: converged after 9 iterations. iteration 39: trace = 1.074102722075685 (7.6313e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 1.074101887848839 (7.76674e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 1.074101047930901 (7.81973e-05% change) linmin: converged after 6 iterations. iteration 42: trace = 1.074100211097466 (7.79102e-05% change) linmin: converged after 8 iterations. iteration 43: trace = 1.074099385352964 (7.68778e-05% change) linmin: converged after 4 iterations. iteration 44: trace = 1.074098577899529 (7.5175e-05% change) linmin: converged after 7 iterations. iteration 45: trace = 1.074097795300156 (7.28611e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 1.074097043417848 (7.00013e-05% change) linmin: converged after 6 iterations. iteration 47: trace = 1.074096327044917 (6.66954e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 1.07409564942254 (6.30877e-05% change) linmin: converged after 6 iterations. iteration 49: trace = 1.074095011920633 (5.93525e-05% change) linmin: converged after 6 iterations. iteration 50: trace = 1.074094414030599 (5.56646e-05% change) linmin: converged after 4 iterations. iteration 51: trace = 1.074093853654191 (5.2172e-05% change) linmin: converged after 4 iterations. iteration 52: trace = 1.074093327564869 (4.89798e-05% change) linmin: converged after 7 iterations. iteration 53: trace = 1.074092831902841 (4.6147e-05% change) linmin: converged after 7 iterations. iteration 54: trace = 1.074092362606619 (4.36923e-05% change) linmin: converged after 7 iterations. iteration 55: trace = 1.074091915758415 (4.16024e-05% change) linmin: converged after 7 iterations. iteration 56: trace = 1.074091487736513 (3.98497e-05% change) linmin: converged after 5 iterations. iteration 57: trace = 1.074091075398906 (3.83894e-05% change) linmin: converged after 6 iterations. iteration 58: trace = 1.074090676147139 (3.71711e-05% change) linmin: converged after 6 iterations. iteration 59: trace = 1.074090287898644 (3.61467e-05% change) linmin: converged after 9 iterations. iteration 60: trace = 1.074089909045251 (3.5272e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 1.074089538423921 (3.45056e-05% change) linmin: converged after 5 iterations. iteration 62: trace = 1.074089175247972 (3.38125e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 1.07408881903133 (3.31645e-05% change) linmin: converged after 6 iterations. iteration 64: trace = 1.074088469513852 (3.25408e-05% change) linmin: converged after 9 iterations. iteration 65: trace = 1.07408812657778 (3.19281e-05% change) linmin: converged after 6 iterations. iteration 66: trace = 1.074087790216545 (3.1316e-05% change) linmin: converged after 5 iterations. iteration 67: trace = 1.074087460457127 (3.07014e-05% change) linmin: converged after 11 iterations. iteration 68: trace = 1.074087137335865 (3.00833e-05% change) linmin: converged after 5 iterations. iteration 69: trace = 1.074086820880412 (2.94627e-05% change) resetting CG direction... large trace change predicted (0.00552468%) linmin: converged after 7 iterations. iteration 70: trace = 1.074027475340835 (0.00552536% change) linmin: converged after 15 iterations. iteration 71: trace = 1.073989952366237 (0.00349373% change) linmin: converged after 5 iterations. iteration 72: trace = 1.073965817865248 (0.00224721% change) linmin: converged after 4 iterations. iteration 73: trace = 1.073953308621741 (0.00116478% change) linmin: converged after 4 iterations. iteration 74: trace = 1.073950635493534 (0.000248906% change) linmin: converged after 17 iterations. iteration 75: trace = 1.073949455987962 (0.000109829% change) linmin: converged after 4 iterations. iteration 76: trace = 1.073948845096588 (5.68827e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 1.073948012807574 (7.7498e-05% change) linmin: converged after 18 iterations. iteration 78: trace = 1.073947354425914 (6.13048e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 1.073947065035149 (2.69465e-05% change) linmin: converged after 5 iterations. iteration 80: trace = 1.07394695066821 (1.06492e-05% change) linmin: converged after 2 iterations. iteration 81: trace = 1.073946903956257 (4.34956e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 1.073946874747745 (2.71974e-06% change) linmin: converged after 4 iterations. iteration 83: trace = 1.073946857878717 (1.57075e-06% change) linmin: converged after 4 iterations. iteration 84: trace = 1.073946849280587 (8.0061e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 1.073946844920114 (4.06023e-07% change) linmin: converged after 5 iterations. iteration 86: trace = 1.073946841502561 (3.18224e-07% change) linmin: converged after 6 iterations. iteration 87: trace = 1.073946837918 (3.33775e-07% change) large trace change predicted (7.24623e-07%) linmin: converged after 3 iterations. iteration 88: trace = 1.073946830135973 (7.24619e-07% change) large trace change predicted (1.47705e-06%) linmin: converged after 4 iterations. iteration 89: trace = 1.073946814273242 (1.47705e-06% change) large trace change predicted (4.35408e-06%) linmin: converged after 23 iterations. iteration 90: trace = 1.07394676751341 (4.35402e-06% change) linmin: converged after 4 iterations. iteration 91: trace = 1.073946679252006 (8.21842e-06% change) linmin: converged after 6 iterations. iteration 92: trace = 1.073946529938732 (1.39032e-05% change) linmin: converged after 4 iterations. iteration 93: trace = 1.073946367540003 (1.51217e-05% change) linmin: converged after 5 iterations. iteration 94: trace = 1.073946257852652 (1.02135e-05% change) linmin: converged after 5 iterations. iteration 95: trace = 1.07394615193248 (9.86271e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 1.07394605506963 (9.01934e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 1.073945953259195 (9.48003e-06% change) linmin: converged after 3 iterations. iteration 98: trace = 1.073945869462059 (7.80273e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 1.073945843522697 (2.41533e-06% change) linmin: converged after 4 iterations. iteration 100: trace = 1.073945837385209 (5.7149e-07% change) linmin: converged after 4 iterations. iteration 101: trace = 1.073945836403003 (9.14577e-08% change) linmin: converged after 10 iterations. iteration 102: trace = 1.073945836058636 (3.20656e-08% change) linmin: converged after 25 iterations. iteration 103: trace = 1.073945835878141 (1.68068e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 1.073945835763975 (1.06305e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 1.07394583571645 (4.4252e-09% change) linmin: converged after 4 iterations. iteration 106: trace = 1.073945835701736 (1.37013e-09% change) linmin: converged after 3 iterations. iteration 107: trace = 1.073945835696845 (4.55463e-10% change) linmin: converged after 3 iterations. iteration 108: trace = 1.073945835694389 (2.28693e-10% change) linmin: converged after 3 iterations. iteration 109: trace = 1.073945835692707 (1.56556e-10% change) linmin: converged after 6 iterations. iteration 110: trace = 1.073945835691554 (1.07368e-10% change) linmin: converged after 3 iterations. iteration 111: trace = 1.073945835690735 (7.62516e-11% change) Finished solving for bands 1 to 5 after 111 iterations. freqs:, 20, 0, 0.4, 0.4, 0.8, 0.343862, 0.344966, 0.517995, 0.519047, 0.546786 elapsed time for k point: 1.9535627365112305 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.093863489005376 (5.33662% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078476778150409 (1.4166% change) linmin: converged after 4 iterations. iteration 3: trace = 1.076328697486619 (0.199376% change) linmin: converged after 4 iterations. iteration 4: trace = 1.07520825578228 (0.104153% change) linmin: converged after 4 iterations. iteration 5: trace = 1.075035171713813 (0.016099% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074955695847559 (0.00739314% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074896058842168 (0.00554801% change) linmin: converged after 4 iterations. iteration 8: trace = 1.074864563418249 (0.00293013% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074852338390717 (0.00113736% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074850012929174 (0.000216352% change) linmin: converged after 5 iterations. iteration 11: trace = 1.074849426015597 (5.46042e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 1.074849271396348 (1.43852e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 1.074849229278938 (3.91845e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.074849215152411 (1.31428e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.074849211815762 (3.1043e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 1.074849210706073 (1.03241e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074849209932704 (7.19515e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074849208992273 (8.74942e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 1.074849207747831 (1.15778e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074849206690859 (9.83367e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074849205550111 (1.06131e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.074849203547239 (1.8634e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 1.074849200224851 (3.09103e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.074849195265541 (4.61396e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074849189770067 (5.11279e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.074849181217014 (7.95745e-07% change) linmin: converged after 7 iterations. iteration 27: trace = 1.074849167020248 (1.32081e-06% change) linmin: converged after 19 iterations. iteration 28: trace = 1.074849153566284 (1.25171e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 1.074849145742404 (7.27905e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 1.074849142292216 (3.20993e-07% change) linmin: converged after 7 iterations. iteration 31: trace = 1.074849140247098 (1.9027e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 1.074849138714338 (1.42602e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.074849137906285 (7.51783e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 1.074849137608583 (2.76971e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 1.074849137533783 (6.95907e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 1.074849137516847 (1.57568e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 1.074849137512894 (3.67757e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.074849137511867 (9.55442e-11% change) Finished solving for bands 1 to 5 after 38 iterations. freqs:, 21, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 elapsed time for k point: 0.6761860847473145 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.078756946605997 (0.894499% change) linmin: converged after 5 iterations. iteration 2: trace = 1.075235337843452 (0.326984% change) linmin: converged after 5 iterations. iteration 3: trace = 1.073638839437051 (0.148589% change) linmin: converged after 4 iterations. iteration 4: trace = 1.073077825204822 (0.0522672% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072780827445491 (0.027681% change) linmin: converged after 4 iterations. iteration 6: trace = 1.07258699329399 (0.01807% change) linmin: converged after 4 iterations. iteration 7: trace = 1.072447691962144 (0.0129883% change) linmin: converged after 4 iterations. iteration 8: trace = 1.072393266687472 (0.00507499% change) linmin: converged after 4 iterations. iteration 9: trace = 1.072363251695815 (0.00279892% change) linmin: converged after 4 iterations. iteration 10: trace = 1.072354631919074 (0.000803815% change) linmin: converged after 5 iterations. iteration 11: trace = 1.072350311740881 (0.000402869% change) linmin: converged after 5 iterations. iteration 12: trace = 1.072348215287221 (0.000195501% change) linmin: converged after 5 iterations. iteration 13: trace = 1.072347360450647 (7.97164e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.072346902137903 (4.27392e-05% change) linmin: converged after 28 iterations. iteration 15: trace = 1.07234662349944 (2.5984e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.072346159290611 (4.32891e-05% change) large trace change predicted (0.000101681%) linmin: converged after 5 iterations. iteration 17: trace = 1.072345068903314 (0.000101682% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072342995669535 (0.000193337% change) linmin: converged after 6 iterations. iteration 19: trace = 1.072339903839816 (0.000288325% change) linmin: converged after 5 iterations. iteration 20: trace = 1.072336586519341 (0.000309354% change) linmin: converged after 5 iterations. iteration 21: trace = 1.072331067855819 (0.00051464% change) linmin: converged after 5 iterations. iteration 22: trace = 1.072320822245429 (0.000955457% change) linmin: converged after 5 iterations. iteration 23: trace = 1.072308842026887 (0.00111723% change) linmin: converged after 5 iterations. iteration 24: trace = 1.072300271277887 (0.000799283% change) linmin: converged after 4 iterations. iteration 25: trace = 1.072297170561082 (0.000289165% change) linmin: converged after 3 iterations. iteration 26: trace = 1.072296311605162 (8.01043e-05% change) linmin: converged after 3 iterations. iteration 27: trace = 1.072296078653733 (2.17245e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 1.072296014170391 (6.01358e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 1.07229598238609 (2.96414e-06% change) linmin: converged after 3 iterations. iteration 30: trace = 1.072295961928195 (1.90786e-06% change) linmin: converged after 20 iterations. iteration 31: trace = 1.072295950657392 (1.05109e-06% change) linmin: converged after 13 iterations. iteration 32: trace = 1.072295945183708 (5.10464e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.072295942508746 (2.49461e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 1.072295940842414 (1.55398e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.072295940004438 (7.81478e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.072295939669313 (3.12531e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.07229593953729 (1.23121e-08% change) linmin: converged after 4 iterations. iteration 38: trace = 1.072295939492488 (4.17809e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 1.072295939478567 (1.29827e-09% change) linmin: converged after 7 iterations. iteration 40: trace = 1.072295939474052 (4.21064e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 1.072295939471506 (2.37452e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.072295939467194 (4.02117e-10% change) large trace change predicted (1.12436e-09%) linmin: converged after 2 iterations. iteration 43: trace = 1.072295939455143 (1.12383e-09% change) large trace change predicted (2.53903e-09%) linmin: converged after 2 iterations. iteration 44: trace = 1.072295939427908 (2.53987e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 1.072295939387904 (3.73071e-09% change) linmin: converged after 2 iterations. iteration 46: trace = 1.072295939341596 (4.31861e-09% change) linmin: converged after 2 iterations. iteration 47: trace = 1.07229593928021 (5.72471e-09% change) linmin: converged after 2 iterations. iteration 48: trace = 1.072295939195128 (7.93454e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 1.072295939101769 (8.70647e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 1.07229593903435 (6.28733e-09% change) linmin: converged after 2 iterations. iteration 51: trace = 1.0722959390049 (2.74646e-09% change) linmin: converged after 3 iterations. iteration 52: trace = 1.072295938995434 (8.82777e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 1.072295938992631 (2.61452e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 1.072295938991745 (8.25811e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 22, 0.05, 0.55, 0.5, 1.00499, 0.381309, 0.382411, 0.495948, 0.497425, 0.535972 elapsed time for k point: 0.9561367034912109 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.07340121851072 (0.802321% change) linmin: converged after 5 iterations. iteration 2: trace = 1.070911358185614 (0.232229% change) linmin: converged after 4 iterations. iteration 3: trace = 1.069941901356439 (0.0905673% change) linmin: converged after 4 iterations. iteration 4: trace = 1.069553512471649 (0.0363066% change) linmin: converged after 4 iterations. iteration 5: trace = 1.069331087285338 (0.0207982% change) linmin: converged after 4 iterations. iteration 6: trace = 1.069162619785114 (0.0157557% change) linmin: converged after 4 iterations. iteration 7: trace = 1.069053139984804 (0.0102403% change) linmin: converged after 4 iterations. iteration 8: trace = 1.069016273149949 (0.00344861% change) linmin: converged after 4 iterations. iteration 9: trace = 1.068993109653979 (0.00216683% change) linmin: converged after 4 iterations. iteration 10: trace = 1.068984047125084 (0.000847767% change) linmin: converged after 4 iterations. iteration 11: trace = 1.068978800311603 (0.000490824% change) linmin: converged after 4 iterations. iteration 12: trace = 1.068976671402709 (0.000199154% change) linmin: converged after 5 iterations. iteration 13: trace = 1.068976061677793 (5.70382e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.068975835505487 (2.11578e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.068975752618555 (7.75386e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.068975691302971 (5.73592e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 1.068975611587514 (7.45718e-06% change) linmin: converged after 7 iterations. iteration 18: trace = 1.068975504396388 (1.00275e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 1.068975371948324 (1.23902e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.068975238402221 (1.24929e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.068975009009896 (2.14591e-05% change) large trace change predicted (5.31033e-05%) linmin: converged after 3 iterations. iteration 22: trace = 1.068974441380575 (5.31004e-05% change) large trace change predicted (0.000113315%) linmin: converged after 3 iterations. iteration 23: trace = 1.068973230352633 (0.000113289% change) linmin: converged after 16 iterations. iteration 24: trace = 1.068971612251677 (0.00015137% change) linmin: converged after 5 iterations. iteration 25: trace = 1.068970673721786 (8.77975e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.068970296061842 (3.53293e-05% change) linmin: converged after 6 iterations. iteration 27: trace = 1.068970144206082 (1.42058e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 1.068970064617448 (7.44536e-06% change) linmin: converged after 23 iterations. iteration 29: trace = 1.068970000607651 (5.98799e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 1.068969962460885 (3.56855e-06% change) linmin: converged after 15 iterations. iteration 31: trace = 1.068969945599863 (1.57731e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.068969938463739 (6.6757e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.068969934705113 (3.51612e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.068969932325574 (2.22601e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.068969931392084 (8.73261e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.068969931132224 (2.43094e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 1.06896993106223 (6.54776e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 1.068969931043932 (1.71174e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 1.068969931038528 (5.05524e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 1.068969931036684 (1.72489e-10% change) linmin: converged after 2 iterations. iteration 41: trace = 1.068969931035926 (7.0915e-11% change) Finished solving for bands 1 to 5 after 41 iterations. freqs:, 23, 0.1, 0.6, 0.5, 1.0198, 0.384516, 0.385642, 0.497116, 0.498376, 0.526207 elapsed time for k point: 0.7286818027496338 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.072100871014418 (0.745891% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069747625124861 (0.21974% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068703623550436 (0.0976409% change) linmin: converged after 4 iterations. iteration 4: trace = 1.067875371517349 (0.0775307% change) linmin: converged after 4 iterations. iteration 5: trace = 1.067259421627093 (0.0576966% change) linmin: converged after 5 iterations. iteration 6: trace = 1.066744514066445 (0.0482574% change) linmin: converged after 4 iterations. iteration 7: trace = 1.066542839982888 (0.0189074% change) linmin: converged after 4 iterations. iteration 8: trace = 1.066494016787271 (0.00457781% change) linmin: converged after 4 iterations. iteration 9: trace = 1.066464593697614 (0.0027589% change) linmin: converged after 4 iterations. iteration 10: trace = 1.066451587604477 (0.00121956% change) linmin: converged after 4 iterations. iteration 11: trace = 1.066443671963224 (0.000742244% change) linmin: converged after 4 iterations. iteration 12: trace = 1.066440721184077 (0.000276694% change) linmin: converged after 4 iterations. iteration 13: trace = 1.066439849451302 (8.17423e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.066439375190476 (4.44714e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 1.066439009888179 (3.42544e-05% change) linmin: converged after 8 iterations. iteration 16: trace = 1.066438547166264 (4.33894e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 1.066438083344787 (4.34926e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.066437660368939 (3.96625e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.066437091954347 (5.33003e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.066436003221212 (0.000102091% change) large trace change predicted (0.000276027%) linmin: converged after 3 iterations. iteration 21: trace = 1.066433060988461 (0.000275894% change) linmin: converged after 3 iterations. iteration 22: trace = 1.066427934761631 (0.00048069% change) linmin: converged after 5 iterations. iteration 23: trace = 1.066424326690162 (0.000338333% change) linmin: converged after 5 iterations. iteration 24: trace = 1.066422960617667 (0.000128098% change) linmin: converged after 4 iterations. iteration 25: trace = 1.066422499824952 (4.32092e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 1.066422186811306 (2.93518e-05% change) linmin: converged after 22 iterations. iteration 27: trace = 1.066421890528529 (2.77829e-05% change) linmin: converged after 14 iterations. iteration 28: trace = 1.066421685763071 (1.92012e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 1.066421590549368 (8.92834e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.066421557708911 (3.0795e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.066421543618709 (1.32126e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.066421537040938 (6.16808e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.066421533956375 (2.89244e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.066421532545962 (1.32257e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.066421532098613 (4.19486e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 1.066421531980992 (1.10295e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.066421531947804 (3.11208e-09% change) linmin: converged after 4 iterations. iteration 38: trace = 1.066421531934526 (1.2451e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 1.066421531923694 (1.01567e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 1.066421531913856 (9.22537e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 1.066421531908565 (4.96134e-10% change) linmin: converged after 2 iterations. iteration 42: trace = 1.066421531906715 (1.73505e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 1.066421531906143 (5.36777e-11% change) Finished solving for bands 1 to 5 after 43 iterations. freqs:, 24, 0.15, 0.65, 0.5, 1.04403, 0.388899, 0.39006, 0.495493, 0.496211, 0.520859 elapsed time for k point: 0.767418384552002 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.069785773622029 (0.695776% change) linmin: converged after 4 iterations. iteration 2: trace = 1.0675275700927 (0.211312% change) linmin: converged after 4 iterations. iteration 3: trace = 1.066558947082886 (0.0907764% change) linmin: converged after 4 iterations. iteration 4: trace = 1.065685964055561 (0.0818839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065178396939569 (0.0476396% change) linmin: converged after 4 iterations. iteration 6: trace = 1.064838989623161 (0.031869% change) linmin: converged after 4 iterations. iteration 7: trace = 1.064736335051624 (0.00964085% change) linmin: converged after 4 iterations. iteration 8: trace = 1.064718062407125 (0.00171618% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064709443696888 (0.000809486% change) linmin: converged after 4 iterations. iteration 10: trace = 1.0647057843368 (0.000343696% change) linmin: converged after 5 iterations. iteration 11: trace = 1.064703064048563 (0.000255497% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064701652735986 (0.000132555% change) linmin: converged after 4 iterations. iteration 13: trace = 1.064701182191706 (4.4195e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 1.064700943607017 (2.24086e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.06470080269637 (1.32348e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.064700694081614 (1.02014e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064700636609636 (5.39795e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 1.064700617118683 (1.83065e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.064700610394755 (6.31532e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064700607866207 (2.37489e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.064700605636813 (2.09392e-07% change) large trace change predicted (4.79935e-07%) linmin: converged after 2 iterations. iteration 22: trace = 1.064700600526939 (4.79935e-07% change) large trace change predicted (1.42417e-06%) linmin: converged after 24 iterations. iteration 23: trace = 1.064700585363863 (1.42416e-06% change) large trace change predicted (2.9795e-06%) linmin: converged after 5 iterations. iteration 24: trace = 1.064700553641625 (2.97945e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 1.064700526788795 (2.5221e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064700508733009 (1.69586e-06% change) linmin: converged after 7 iterations. iteration 27: trace = 1.064700490074571 (1.75246e-06% change) linmin: converged after 7 iterations. iteration 28: trace = 1.064700466708598 (2.19461e-06% change) linmin: converged after 7 iterations. iteration 29: trace = 1.06470044669229 (1.87999e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.064700438159883 (8.0139e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.064700434713087 (3.23734e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 1.064700432935543 (1.66953e-07% change) linmin: converged after 32 iterations. iteration 33: trace = 1.064700431874776 (9.96305e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 1.064700431313334 (5.27324e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 1.064700431122886 (1.78874e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.064700431069204 (5.04202e-09% change) linmin: converged after 2 iterations. iteration 37: trace = 1.064700431049596 (1.84159e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 1.064700431037444 (1.14136e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 1.064700431026593 (1.01919e-09% change) linmin: converged after 8 iterations. iteration 40: trace = 1.064700431020413 (5.80419e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.064700431018623 (1.68092e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.064700431018219 (3.7998e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 25, 0.2, 0.7, 0.5, 1.07703, 0.392891, 0.394091, 0.490499, 0.490808, 0.523019 elapsed time for k point: 0.7466347217559814 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.071021350270335 (0.625217% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069008626727726 (0.188102% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068158244994453 (0.0795803% change) linmin: converged after 4 iterations. iteration 4: trace = 1.067197593291478 (0.0899758% change) linmin: converged after 4 iterations. iteration 5: trace = 1.066544128016739 (0.0612506% change) linmin: converged after 5 iterations. iteration 6: trace = 1.065958659768336 (0.054909% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065750318758569 (0.0195469% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065675510645074 (0.00701954% change) linmin: converged after 4 iterations. iteration 9: trace = 1.065611170326841 (0.0060377% change) linmin: converged after 4 iterations. iteration 10: trace = 1.065570512607307 (0.00381551% change) linmin: converged after 4 iterations. iteration 11: trace = 1.065544557375991 (0.00243584% change) linmin: converged after 4 iterations. iteration 12: trace = 1.0655368568199 (0.00072269% change) linmin: converged after 4 iterations. iteration 13: trace = 1.065534821698053 (0.000190995% change) linmin: converged after 4 iterations. iteration 14: trace = 1.065533865899953 (8.97013e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.065533310020041 (5.21692e-05% change) linmin: converged after 22 iterations. iteration 16: trace = 1.065532898652886 (3.86067e-05% change) linmin: converged after 9 iterations. iteration 17: trace = 1.065532683286644 (2.02121e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 1.065532562807169 (1.1307e-05% change) linmin: converged after 15 iterations. iteration 19: trace = 1.065532411961438 (1.41568e-05% change) large trace change predicted (2.83328e-05%) linmin: converged after 5 iterations. iteration 20: trace = 1.065532110060982 (2.83333e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.065531537841888 (5.37027e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.065530957314029 (5.44825e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.065530503264789 (4.26125e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.065529848652734 (6.14353e-05% change) large trace change predicted (0.000173392%) linmin: converged after 18 iterations. iteration 25: trace = 1.065528002357257 (0.000173275% change) large trace change predicted (0.000909716%) linmin: converged after 4 iterations. iteration 26: trace = 1.065518574699883 (0.000884791% change) large trace change predicted (0.00393935%) linmin: converged after 7 iterations. iteration 27: trace = 1.065486645377521 (0.00299664% change) linmin: converged after 7 iterations. iteration 28: trace = 1.065452552999777 (0.00319975% change) linmin: converged after 5 iterations. iteration 29: trace = 1.065430692502134 (0.00205178% change) linmin: converged after 4 iterations. iteration 30: trace = 1.0654195196973 (0.00104867% change) linmin: converged after 4 iterations. iteration 31: trace = 1.065412511450988 (0.000657794% change) linmin: converged after 4 iterations. iteration 32: trace = 1.065407624934877 (0.000458651% change) linmin: converged after 4 iterations. iteration 33: trace = 1.065405106389505 (0.000236393% change) linmin: converged after 6 iterations. iteration 34: trace = 1.065404017355628 (0.000102218% change) linmin: converged after 3 iterations. iteration 35: trace = 1.065403611279681 (3.81147e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 1.065403441897583 (1.58984e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.065403323983863 (1.10675e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 1.065403209148777 (1.07786e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 1.065403107383964 (9.55177e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 1.065403054400382 (4.9731e-06% change) linmin: converged after 25 iterations. iteration 41: trace = 1.065403036026227 (1.72462e-06% change) linmin: converged after 2 iterations. iteration 42: trace = 1.065403029086634 (6.51359e-07% change) linmin: converged after 6 iterations. iteration 43: trace = 1.065403024655582 (4.15904e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 1.065403021203689 (3.23999e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 1.065403018988269 (2.07942e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 1.065403018017995 (9.10711e-08% change) linmin: converged after 24 iterations. iteration 47: trace = 1.065403017555735 (4.33883e-08% change) linmin: converged after 3 iterations. iteration 48: trace = 1.065403017088614 (4.38445e-08% change) large trace change predicted (8.98921e-08%) linmin: converged after 16 iterations. iteration 49: trace = 1.06540301613089 (8.98931e-08% change) large trace change predicted (2.34715e-07%) linmin: converged after 7 iterations. iteration 50: trace = 1.065403013630229 (2.34715e-07% change) large trace change predicted (5.61006e-07%) linmin: converged after 4 iterations. iteration 51: trace = 1.065403007653217 (5.61009e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 1.065402998331463 (8.74951e-07% change) linmin: converged after 6 iterations. iteration 53: trace = 1.065402986272109 (1.13191e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 1.065402969180498 (1.60424e-06% change) linmin: converged after 9 iterations. iteration 55: trace = 1.06540294367428 (2.39404e-06% change) linmin: converged after 4 iterations. iteration 56: trace = 1.065402909801888 (3.1793e-06% change) linmin: converged after 3 iterations. iteration 57: trace = 1.065402880545039 (2.74608e-06% change) linmin: converged after 17 iterations. iteration 58: trace = 1.065402867306259 (1.24261e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 1.065402862588807 (4.42786e-07% change) linmin: converged after 4 iterations. iteration 60: trace = 1.065402860542871 (1.92034e-07% change) linmin: converged after 3 iterations. iteration 61: trace = 1.065402859236197 (1.22646e-07% change) linmin: converged after 2 iterations. iteration 62: trace = 1.065402858140927 (1.02803e-07% change) linmin: converged after 24 iterations. iteration 63: trace = 1.065402857386047 (7.08539e-08% change) linmin: converged after 17 iterations. iteration 64: trace = 1.065402857037236 (3.27399e-08% change) linmin: converged after 4 iterations. iteration 65: trace = 1.065402856879964 (1.47617e-08% change) linmin: converged after 2 iterations. iteration 66: trace = 1.065402856783469 (9.05718e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 1.065402856698843 (7.94309e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 1.065402856628605 (6.59263e-09% change) linmin: converged after 2 iterations. iteration 69: trace = 1.06540285659137 (3.49495e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.065402856578426 (1.21489e-09% change) linmin: converged after 2 iterations. iteration 71: trace = 1.065402856572651 (5.42084e-10% change) linmin: converged after 2 iterations. iteration 72: trace = 1.065402856570895 (1.64772e-10% change) linmin: converged after 7 iterations. iteration 73: trace = 1.065402856570116 (7.31741e-11% change) Finished solving for bands 1 to 5 after 73 iterations. freqs:, 26, 0.25, 0.75, 0.5, 1.11803, 0.394551, 0.395772, 0.487945, 0.488132, 0.526056 elapsed time for k point: 1.2889628410339355 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.065652985560642 (0.504169% change) linmin: converged after 5 iterations. iteration 2: trace = 1.063445113670567 (0.2074% change) linmin: converged after 4 iterations. iteration 3: trace = 1.062314063657521 (0.106414% change) linmin: converged after 5 iterations. iteration 4: trace = 1.060800077547409 (0.142619% change) linmin: converged after 5 iterations. iteration 5: trace = 1.05986488455284 (0.0881981% change) linmin: converged after 5 iterations. iteration 6: trace = 1.058934077174913 (0.0878618% change) linmin: converged after 4 iterations. iteration 7: trace = 1.058590167161771 (0.0324823% change) linmin: converged after 4 iterations. iteration 8: trace = 1.058340293433677 (0.0236072% change) linmin: converged after 5 iterations. iteration 9: trace = 1.058044369816026 (0.027965% change) linmin: converged after 4 iterations. iteration 10: trace = 1.057844196413271 (0.018921% change) linmin: converged after 4 iterations. iteration 11: trace = 1.057733298994568 (0.0104839% change) linmin: converged after 4 iterations. iteration 12: trace = 1.057686886060791 (0.00438806% change) linmin: converged after 4 iterations. iteration 13: trace = 1.057643718266312 (0.00408142% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057601094500236 (0.00403015% change) linmin: converged after 4 iterations. iteration 15: trace = 1.057574169310959 (0.00254591% change) linmin: converged after 4 iterations. iteration 16: trace = 1.057560843558327 (0.00126004% change) linmin: converged after 4 iterations. iteration 17: trace = 1.057554897777827 (0.000562218% change) linmin: converged after 5 iterations. iteration 18: trace = 1.057550493139094 (0.000416494% change) linmin: converged after 5 iterations. iteration 19: trace = 1.057547622004219 (0.00027149% change) linmin: converged after 4 iterations. iteration 20: trace = 1.0575462132799 (0.000133207% change) linmin: converged after 4 iterations. iteration 21: trace = 1.057545647266083 (5.35214e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.057545445060939 (1.91202e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 1.057545346459631 (9.3236e-06% change) linmin: converged after 19 iterations. iteration 24: trace = 1.057545294682106 (4.89601e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057545271741682 (2.16921e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.057545262910939 (8.35023e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057545260634137 (2.15291e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.057545259833995 (7.56603e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 1.057545259398531 (4.11769e-08% change) linmin: converged after 24 iterations. iteration 30: trace = 1.05754525910819 (2.74542e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.057545258933647 (1.65045e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 1.057545258873739 (5.66482e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.057545258854837 (1.7873e-09% change) linmin: converged after 6 iterations. iteration 34: trace = 1.057545258846102 (8.26013e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 1.057545258839639 (6.11095e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 1.057545258833271 (6.02172e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 1.057545258828686 (4.3353e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 1.057545258826102 (2.44354e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.057545258824421 (1.58941e-10% change) linmin: converged after 2 iterations. iteration 40: trace = 1.057545258822978 (1.36475e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.057545258821916 (1.00404e-10% change) linmin: converged after 6 iterations. iteration 42: trace = 1.057545258821417 (4.71995e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 27, 0.275, 0.75, 0.475, 1.09772, 0.391745, 0.39651, 0.484446, 0.491809, 0.5199 elapsed time for k point: 0.7458157539367676 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051264386853344 (0.453577% change) linmin: converged after 4 iterations. iteration 2: trace = 1.04973526694034 (0.145561% change) linmin: converged after 4 iterations. iteration 3: trace = 1.049264550979224 (0.0448515% change) linmin: converged after 4 iterations. iteration 4: trace = 1.048963507822209 (0.028695% change) linmin: converged after 4 iterations. iteration 5: trace = 1.048842772219766 (0.0115107% change) linmin: converged after 4 iterations. iteration 6: trace = 1.048772455329969 (0.00670446% change) linmin: converged after 4 iterations. iteration 7: trace = 1.048748914239768 (0.00224466% change) linmin: converged after 4 iterations. iteration 8: trace = 1.048744582091002 (0.000413079% change) linmin: converged after 4 iterations. iteration 9: trace = 1.048741973701242 (0.000248716% change) linmin: converged after 5 iterations. iteration 10: trace = 1.048740250692929 (0.000164293% change) linmin: converged after 5 iterations. iteration 11: trace = 1.048738772995069 (0.000140902% change) linmin: converged after 5 iterations. iteration 12: trace = 1.048738138397404 (6.05106e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.048737951057083 (1.78634e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.048737879547408 (6.81864e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.048737847303643 (3.07453e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.048737823461935 (2.27337e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.048737805857723 (1.67861e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.048737790475252 (1.46676e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 1.048737774176585 (1.55412e-06% change) linmin: converged after 9 iterations. iteration 20: trace = 1.048737760567202 (1.29769e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.048737751887529 (8.2763e-07% change) linmin: converged after 15 iterations. iteration 22: trace = 1.048737748311009 (3.41031e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.048737746988581 (1.26097e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.048737746414591 (5.47315e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 1.048737746162667 (2.40216e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.048737746020624 (1.35442e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.048737745965863 (5.22162e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.048737745951455 (1.37384e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 1.048737745947921 (3.37004e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 1.048737745947214 (6.74346e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 28, 0.3, 0.75, 0.45, 1.08167, 0.387217, 0.396766, 0.481876, 0.494898, 0.514052 elapsed time for k point: 0.5363571643829346 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.043730320366919 (0.402906% change) linmin: converged after 4 iterations. iteration 2: trace = 1.042615065363669 (0.10691% change) linmin: converged after 4 iterations. iteration 3: trace = 1.042310395155626 (0.029226% change) linmin: converged after 4 iterations. iteration 4: trace = 1.042172278532873 (0.0132519% change) linmin: converged after 4 iterations. iteration 5: trace = 1.04211549754526 (0.00544848% change) linmin: converged after 4 iterations. iteration 6: trace = 1.042085473330363 (0.00288112% change) linmin: converged after 4 iterations. iteration 7: trace = 1.042070524368532 (0.00143453% change) linmin: converged after 4 iterations. iteration 8: trace = 1.042066548612322 (0.000381525% change) linmin: converged after 4 iterations. iteration 9: trace = 1.042062887047382 (0.000351376% change) linmin: converged after 6 iterations. iteration 10: trace = 1.042059736967597 (0.000302293% change) linmin: converged after 5 iterations. iteration 11: trace = 1.042056939339033 (0.000268471% change) linmin: converged after 5 iterations. iteration 12: trace = 1.042055775662487 (0.000111671% change) linmin: converged after 5 iterations. iteration 13: trace = 1.042055457699147 (3.05131e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.042055355980318 (9.76136e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.042055322293867 (3.23269e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.042055302547829 (1.89491e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.042055285398346 (1.64574e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.04205526563002 (1.89705e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.042055241138575 (2.3503e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 1.042055220583107 (1.97259e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 1.042055207018133 (1.30175e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 1.042055201090031 (5.68886e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.042055199094497 (1.915e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 1.04205519837725 (6.883e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.04205519812517 (2.41906e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 1.042055197991547 (1.28231e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 1.042055197924896 (6.39612e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.042055197900921 (2.30072e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 1.042055197891544 (8.99808e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 1.042055197887331 (4.04283e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 1.042055197884506 (2.7117e-10% change) linmin: converged after 5 iterations. iteration 32: trace = 1.042055197882749 (1.68613e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 1.042055197882128 (5.95142e-11% change) Finished solving for bands 1 to 5 after 33 iterations. freqs:, 29, 0.325, 0.75, 0.425, 1.07005, 0.383285, 0.396393, 0.480245, 0.4979, 0.509391 elapsed time for k point: 0.5886871814727783 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.040583967142716 (0.367529% change) linmin: converged after 4 iterations. iteration 2: trace = 1.039722865444669 (0.082786% change) linmin: converged after 4 iterations. iteration 3: trace = 1.039501656240267 (0.021278% change) linmin: converged after 4 iterations. iteration 4: trace = 1.039430647296852 (0.00683129% change) linmin: converged after 4 iterations. iteration 5: trace = 1.039402550983751 (0.00270308% change) linmin: converged after 4 iterations. iteration 6: trace = 1.039389236782902 (0.00128096% change) linmin: converged after 4 iterations. iteration 7: trace = 1.03937784008042 (0.00109649% change) linmin: converged after 4 iterations. iteration 8: trace = 1.039372508607947 (0.00051295% change) linmin: converged after 4 iterations. iteration 9: trace = 1.039365669584181 (0.000657998% change) linmin: converged after 4 iterations. iteration 10: trace = 1.039358797682242 (0.000661165% change) linmin: converged after 15 iterations. iteration 11: trace = 1.039351522033728 (0.000700016% change) linmin: converged after 4 iterations. iteration 12: trace = 1.039347743030304 (0.000363593% change) linmin: converged after 4 iterations. iteration 13: trace = 1.039346603568477 (0.000109632% change) linmin: converged after 5 iterations. iteration 14: trace = 1.039346252827021 (3.37463e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.039346151663325 (9.7334e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.03934610116637 (4.85853e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.039346056762978 (4.27224e-06% change) linmin: converged after 9 iterations. iteration 18: trace = 1.039346002477128 (5.22308e-06% change) linmin: converged after 8 iterations. iteration 19: trace = 1.039345931774688 (6.80259e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.039345863606871 (6.55872e-06% change) linmin: converged after 8 iterations. iteration 21: trace = 1.039345797360606 (6.37384e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 1.039345749422764 (4.61231e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 1.039345724079953 (2.43834e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 1.039345709972817 (1.35731e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 1.039345701605025 (8.05102e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.039345695151118 (6.20959e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.0393456919634 (3.06704e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.039345690769056 (1.14913e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.039345690283835 (4.66853e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.039345690103325 (1.73676e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.039345690033777 (6.69145e-09% change) linmin: converged after 2 iterations. iteration 32: trace = 1.039345690011561 (2.1375e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.039345690005521 (5.81183e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 1.039345690002443 (2.96168e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 1.039345689999082 (3.23342e-10% change) linmin: converged after 10 iterations. iteration 36: trace = 1.03934568999394 (4.94788e-10% change) linmin: converged after 5 iterations. iteration 37: trace = 1.039345689988245 (5.47877e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 1.039345689985425 (2.71364e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.039345689984559 (8.32764e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 30, 0.35, 0.75, 0.4, 1.06301, 0.380687, 0.395955, 0.479389, 0.501411, 0.506376 elapsed time for k point: 0.6968028545379639 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.042607161723232 (0.34652% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041876242542525 (0.0701295% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041689793085851 (0.0178971% change) linmin: converged after 4 iterations. iteration 4: trace = 1.041641147670471 (0.00466997% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041621655685301 (0.00187129% change) linmin: converged after 5 iterations. iteration 6: trace = 1.041610029147993 (0.0011162% change) large trace change predicted (0.0025014%) linmin: converged after 4 iterations. iteration 7: trace = 1.041583957217064 (0.00250307% change) linmin: converged after 18 iterations. iteration 8: trace = 1.041547309524842 (0.00351852% change) large trace change predicted (0.00868818%) linmin: converged after 4 iterations. iteration 9: trace = 1.041457030685763 (0.00866814% change) linmin: converged after 5 iterations. iteration 10: trace = 1.041334060957567 (0.0118082% change) linmin: converged after 5 iterations. iteration 11: trace = 1.041164698684121 (0.0162653% change) linmin: converged after 4 iterations. iteration 12: trace = 1.041009772943031 (0.0148811% change) linmin: converged after 4 iterations. iteration 13: trace = 1.040930951210219 (0.00757195% change) linmin: converged after 3 iterations. iteration 14: trace = 1.040898073109463 (0.00315858% change) linmin: converged after 4 iterations. iteration 15: trace = 1.04088809698901 (0.000958419% change) linmin: converged after 3 iterations. iteration 16: trace = 1.040884173754485 (0.000376913% change) linmin: converged after 3 iterations. iteration 17: trace = 1.040881857295365 (0.000222547% change) linmin: converged after 5 iterations. iteration 18: trace = 1.040880129419617 (0.000166001% change) linmin: converged after 6 iterations. iteration 19: trace = 1.040878846929958 (0.000123212% change) linmin: converged after 5 iterations. iteration 20: trace = 1.040878282105085 (5.42642e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 1.04087805108167 (2.2195e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 1.040877952535796 (9.46757e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.040877913823838 (3.71916e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.040877896748452 (1.64048e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.04087788840288 (8.01782e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.040877879210385 (8.83148e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.040877861806336 (1.67205e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 1.040877831116926 (2.94842e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 1.040877780705417 (4.84317e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 1.040877720799319 (5.75534e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.040877666373306 (5.22886e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.040877636834781 (2.83785e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 1.040877628021505 (8.46716e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.040877624968479 (2.93313e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.040877623448808 (1.45999e-07% change) linmin: converged after 2 iterations. iteration 36: trace = 1.040877622408119 (9.99819e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.040877621570125 (8.05084e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 1.040877621105957 (4.4594e-08% change) linmin: converged after 3 iterations. iteration 39: trace = 1.040877620899656 (1.98199e-08% change) linmin: converged after 2 iterations. iteration 40: trace = 1.040877620810269 (8.58759e-09% change) linmin: converged after 2 iterations. iteration 41: trace = 1.040877620768393 (4.02317e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 1.040877620742681 (2.47025e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 1.040877620722482 (1.94053e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 1.040877620697881 (2.36355e-09% change) linmin: converged after 4 iterations. iteration 45: trace = 1.040877620655524 (4.06933e-09% change) large trace change predicted (8.31704e-09%) linmin: converged after 5 iterations. iteration 46: trace = 1.040877620568952 (8.31718e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 1.040877620412686 (1.50129e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 1.040877620260933 (1.45793e-08% change) linmin: converged after 21 iterations. iteration 49: trace = 1.040877620187645 (7.04101e-09% change) linmin: converged after 2 iterations. iteration 50: trace = 1.040877620163347 (2.33439e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 1.040877620156021 (7.03736e-10% change) linmin: converged after 4 iterations. iteration 52: trace = 1.040877620153323 (2.59253e-10% change) linmin: converged after 5 iterations. iteration 53: trace = 1.040877620151854 (1.41135e-10% change) linmin: converged after 4 iterations. iteration 54: trace = 1.040877620150953 (8.65244e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 31, 0.375, 0.75, 0.375, 1.06066, 0.379784, 0.395774, 0.479133, 0.505118, 0.505264 Felapsed time for k point: 0.9559650421142578 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.39455107895905184 at Vector3<0.25, 0.75, 0.5> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.39676580140805684 at Vector3<0.3, 0.75, 0.45> Band 3 range: 0.4423707668172988 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254675 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.44355516512198123 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898852 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.5030135895148895 at Vector3<0.0, 0.6, 0.4> to 0.5958386856926993 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.39676580140805684) to band 3 (0.4423707668172988), 10.869497799551134% total elapsed time for run: 25.48749351501465 done /tmp/meepW1wGQn/test_diamond-0: 25.50s /tmp/meepW1wGQn/test_epsilon_input_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) read in 32x32x1 epsilon-input-file "/build/reproducible-path/meep-1.25.0/python/tests/data/eps_input_file_test.h5" Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.006516456604003906 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 15.010498021346 (194.322% change) linmin: converged after 10 iterations. iteration 2: trace = 6.70669216576219 (76.4722% change) linmin: converged after 11 iterations. iteration 3: trace = 5.931553794782948 (12.2665% change) linmin: converged after 6 iterations. iteration 4: trace = 5.662635341541838 (4.63885% change) linmin: converged after 5 iterations. iteration 5: trace = 5.527372289947123 (2.41757% change) linmin: converged after 7 iterations. iteration 6: trace = 5.474817264573622 (0.955356% change) linmin: converged after 5 iterations. iteration 7: trace = 5.452647710728011 (0.405758% change) linmin: converged after 5 iterations. iteration 8: trace = 5.443329006335158 (0.171049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.437411734980186 (0.108766% change) linmin: converged after 5 iterations. iteration 10: trace = 5.434223793394289 (0.058647% change) linmin: converged after 5 iterations. iteration 11: trace = 5.432629201906219 (0.0293478% change) linmin: converged after 5 iterations. iteration 12: trace = 5.431266964483672 (0.0250782% change) linmin: converged after 4 iterations. iteration 13: trace = 5.4301299639971 (0.0209365% change) linmin: converged after 5 iterations. iteration 14: trace = 5.428352252875725 (0.0327433% change) linmin: converged after 5 iterations. iteration 15: trace = 5.425410096326815 (0.0542145% change) linmin: converged after 5 iterations. iteration 16: trace = 5.421476783204557 (0.0725243% change) linmin: converged after 4 iterations. iteration 17: trace = 5.418133499342619 (0.0616864% change) linmin: converged after 4 iterations. iteration 18: trace = 5.416179004379589 (0.0360797% change) linmin: converged after 4 iterations. iteration 19: trace = 5.415183619210557 (0.0183797% change) linmin: converged after 3 iterations. iteration 20: trace = 5.414790413232391 (0.00726144% change) linmin: converged after 3 iterations. iteration 21: trace = 5.414658533289079 (0.00243558% change) linmin: converged after 4 iterations. iteration 22: trace = 5.414605098261865 (0.000986864% change) linmin: converged after 3 iterations. iteration 23: trace = 5.41457978258763 (0.000467545% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414557159788035 (0.000417814% change) linmin: converged after 5 iterations. iteration 25: trace = 5.414537709366912 (0.000359225% change) linmin: converged after 4 iterations. iteration 26: trace = 5.414526431428479 (0.00020829% change) linmin: converged after 4 iterations. iteration 27: trace = 5.414516059097934 (0.000191565% change) linmin: converged after 4 iterations. iteration 28: trace = 5.414506000595706 (0.000185769% change) linmin: converged after 5 iterations. iteration 29: trace = 5.414495579585648 (0.000192465% change) linmin: converged after 5 iterations. iteration 30: trace = 5.414486357822046 (0.000170316% change) linmin: converged after 5 iterations. iteration 31: trace = 5.414478585160095 (0.000143553% change) linmin: converged after 5 iterations. iteration 32: trace = 5.414473688675677 (9.04332e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 5.414471810062532 (3.46961e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 5.414471116517082 (1.28091e-05% change) linmin: converged after 3 iterations. iteration 35: trace = 5.414470893896489 (4.11159e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 5.414470830684589 (1.16746e-06% change) linmin: converged after 3 iterations. iteration 37: trace = 5.414470802007648 (5.29635e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 5.414470781361669 (3.81311e-07% change) linmin: converged after 3 iterations. iteration 39: trace = 5.414470762077171 (3.56166e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 5.414470741386292 (3.8214e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 5.414470722667642 (3.45715e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 5.414470706127538 (3.0548e-07% change) linmin: converged after 3 iterations. iteration 43: trace = 5.414470693366217 (2.35689e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 5.41447068320018 (1.87757e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 5.414470674912605 (1.53063e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 5.41447066997052 (9.12755e-08% change) linmin: converged after 10 iterations. iteration 47: trace = 5.4144706676953 (4.20211e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 5.414470666815681 (1.62457e-08% change) linmin: converged after 2 iterations. iteration 49: trace = 5.414470666454843 (6.66434e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 5.414470666309414 (2.68594e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 5.414470666257191 (9.64494e-10% change) linmin: converged after 5 iterations. iteration 52: trace = 5.414470666225633 (5.82843e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 5.414470666199072 (4.90555e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 5.414470666173593 (4.70576e-10% change) linmin: converged after 6 iterations. iteration 55: trace = 5.414470666149851 (4.38506e-10% change) linmin: converged after 3 iterations. iteration 56: trace = 5.414470666128739 (3.89902e-10% change) linmin: converged after 6 iterations. iteration 57: trace = 5.414470666110462 (3.37574e-10% change) linmin: converged after 3 iterations. iteration 58: trace = 5.414470666093906 (3.05767e-10% change) linmin: converged after 5 iterations. iteration 59: trace = 5.414470666080772 (2.42563e-10% change) linmin: converged after 4 iterations. iteration 60: trace = 5.414470666072162 (1.59018e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 5.414470666068263 (7.20126e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 elapsed time for k point: 0.4184715747833252 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.414034200819235 (0.770067% change) linmin: converged after 5 iterations. iteration 2: trace = 5.394129086431365 (0.368335% change) linmin: converged after 4 iterations. iteration 3: trace = 5.387838054235934 (0.116695% change) linmin: converged after 6 iterations. iteration 4: trace = 5.38573302126024 (0.0390777% change) linmin: converged after 4 iterations. iteration 5: trace = 5.385123764190087 (0.0113131% change) linmin: converged after 3 iterations. iteration 6: trace = 5.384850308348896 (0.00507812% change) linmin: converged after 5 iterations. iteration 7: trace = 5.384742385265683 (0.00200422% change) linmin: converged after 3 iterations. iteration 8: trace = 5.384707331033511 (0.000650994% change) linmin: converged after 3 iterations. iteration 9: trace = 5.384697125432805 (0.00018953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.384694738826759 (4.4322e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.38469373841834 (1.85787e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.38469334147432 (7.37171e-06% change) linmin: converged after 6 iterations. iteration 13: trace = 5.384693264290632 (1.43339e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.384693236314638 (5.19547e-07% change) linmin: converged after 27 iterations. iteration 15: trace = 5.384693227539161 (1.62971e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.384693222657339 (9.06611e-08% change) linmin: converged after 7 iterations. iteration 17: trace = 5.384693220298985 (4.37974e-08% change) linmin: converged after 5 iterations. iteration 18: trace = 5.38469321944498 (1.58599e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.384693219150677 (5.46555e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.384693219100483 (9.32154e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.384693219085562 (2.77108e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.384693219081497 (7.54788e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0879993, 0.552518, 0.748716, 0.762869, 0.888847, 0.992942, 0.998586, 1.07516 elapsed time for k point: 0.19279837608337402 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.355662708024886 (0.460045% change) linmin: converged after 4 iterations. iteration 2: trace = 5.347222135069634 (0.157725% change) linmin: converged after 3 iterations. iteration 3: trace = 5.345410979036958 (0.0338767% change) linmin: converged after 3 iterations. iteration 4: trace = 5.344984997322198 (0.00796943% change) linmin: converged after 3 iterations. iteration 5: trace = 5.344879076779086 (0.0019817% change) linmin: converged after 4 iterations. iteration 6: trace = 5.344849146440718 (0.000559983% change) linmin: converged after 6 iterations. iteration 7: trace = 5.344835115273672 (0.000262518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.344829856084941 (9.83976e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.344828194805022 (3.1082e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.34482778191485 (7.72504e-06% change) linmin: converged after 7 iterations. iteration 11: trace = 5.344827673972831 (2.01956e-06% change) linmin: converged after 17 iterations. iteration 12: trace = 5.344827628371271 (8.5319e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.344827617785642 (1.98054e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.344827614523968 (6.10249e-08% change) linmin: converged after 25 iterations. iteration 15: trace = 5.344827613901658 (1.16432e-08% change) linmin: converged after 14 iterations. iteration 16: trace = 5.344827613761418 (2.62384e-09% change) linmin: converged after 9 iterations. iteration 17: trace = 5.344827613731018 (5.68768e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.34482761371994 (2.0727e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.344827613715932 (7.49949e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.175173, 0.545105, 0.716013, 0.766968, 0.874229, 0.997272, 0.999271, 1.07644 elapsed time for k point: 0.1674654483795166 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.340457320229202 (0.319238% change) linmin: converged after 3 iterations. iteration 2: trace = 5.334738355255591 (0.107145% change) linmin: converged after 3 iterations. iteration 3: trace = 5.333227635064278 (0.0283226% change) linmin: converged after 3 iterations. iteration 4: trace = 5.3327946789184 (0.00811842% change) linmin: converged after 4 iterations. iteration 5: trace = 5.332637699662469 (0.0029437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.332576391911177 (0.00114968% change) linmin: converged after 4 iterations. iteration 7: trace = 5.332547153504838 (0.000548299% change) linmin: converged after 3 iterations. iteration 8: trace = 5.3325403326837 (0.000127909% change) linmin: converged after 3 iterations. iteration 9: trace = 5.332539070811762 (2.36636e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.332538862039479 (3.91506e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.33253881055138 (9.65546e-07% change) linmin: converged after 9 iterations. iteration 12: trace = 5.332538790057395 (3.84319e-07% change) linmin: converged after 7 iterations. iteration 13: trace = 5.332538782348818 (1.44557e-07% change) linmin: converged after 11 iterations. iteration 14: trace = 5.332538778533806 (7.15421e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.332538777162937 (2.57076e-08% change) linmin: converged after 35 iterations. iteration 16: trace = 5.332538776747975 (7.7817e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.332538776643045 (1.96774e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 5.332538776603641 (7.38919e-10% change) linmin: converged after 9 iterations. iteration 19: trace = 5.332538776587453 (3.03569e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.33253877658143 (1.1296e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.332538776580064 (2.56167e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.260381, 0.525802, 0.677399, 0.772205, 0.858581, 1.00023, 1.01596, 1.07856 elapsed time for k point: 0.18457865715026855 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.363396432900416 (0.284485% change) linmin: converged after 4 iterations. iteration 2: trace = 5.356814965978231 (0.122786% change) linmin: converged after 4 iterations. iteration 3: trace = 5.354076997925469 (0.0511249% change) linmin: converged after 4 iterations. iteration 4: trace = 5.352894701756229 (0.0220846% change) linmin: converged after 4 iterations. iteration 5: trace = 5.352440600417538 (0.00848365% change) linmin: converged after 4 iterations. iteration 6: trace = 5.352259473037407 (0.00338407% change) linmin: converged after 3 iterations. iteration 7: trace = 5.352189105551972 (0.00131473% change) linmin: converged after 4 iterations. iteration 8: trace = 5.352168902977512 (0.000377464% change) linmin: converged after 4 iterations. iteration 9: trace = 5.352160538189801 (0.000156288% change) linmin: converged after 4 iterations. iteration 10: trace = 5.352156103700064 (8.28542e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.352153672779612 (4.54195e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.352152330741642 (2.50747e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.352151885750062 (8.31426e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.352151731938058 (2.87383e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 5.352151681468189 (9.42983e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.352151666678838 (2.76325e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.352151661664976 (9.36794e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.352151659840973 (3.40798e-08% change) linmin: converged after 12 iterations. iteration 19: trace = 5.352151659337844 (9.4005e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.352151659154261 (3.43008e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.352151659081809 (1.3537e-09% change) linmin: converged after 11 iterations. iteration 22: trace = 5.352151659049174 (6.09742e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.352151659038407 (2.01179e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.352151659035267 (5.86626e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.341313, 0.485827, 0.650379, 0.776592, 0.84814, 1.00112, 1.04085, 1.08101 elapsed time for k point: 0.20917487144470215 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.408014214230005 (0.323637% change) linmin: converged after 5 iterations. iteration 2: trace = 5.395953624985669 (0.223262% change) linmin: converged after 5 iterations. iteration 3: trace = 5.388192869995829 (0.143929% change) linmin: converged after 5 iterations. iteration 4: trace = 5.383948420764167 (0.0788042% change) linmin: converged after 4 iterations. iteration 5: trace = 5.382101128030969 (0.034317% change) linmin: converged after 4 iterations. iteration 6: trace = 5.380826833882364 (0.0236793% change) linmin: converged after 4 iterations. iteration 7: trace = 5.379816112031401 (0.0187855% change) linmin: converged after 5 iterations. iteration 8: trace = 5.378899374350692 (0.0170418% change) linmin: converged after 4 iterations. iteration 9: trace = 5.378431618794443 (0.0086965% change) linmin: converged after 4 iterations. iteration 10: trace = 5.378289587783577 (0.00264079% change) linmin: converged after 4 iterations. iteration 11: trace = 5.378238168343266 (0.00095606% change) linmin: converged after 5 iterations. iteration 12: trace = 5.378217538790501 (0.000383575% change) linmin: converged after 4 iterations. iteration 13: trace = 5.378209482090189 (0.000149803% change) linmin: converged after 4 iterations. iteration 14: trace = 5.37820657350159 (5.4081e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.378205626014854 (1.76172e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 5.378205300789656 (6.0471e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.378205138261709 (3.02197e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.378205064148516 (1.37803e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 5.378205024912401 (7.29539e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.378205008150022 (3.11672e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.378205002382003 (1.07248e-07% change) linmin: converged after 10 iterations. iteration 22: trace = 5.378204997047546 (9.91866e-08% change) linmin: converged after 23 iterations. iteration 23: trace = 5.378204992784521 (7.92648e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 5.378204989224101 (6.62009e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 5.3782049872668 (3.63932e-08% change) linmin: converged after 24 iterations. iteration 26: trace = 5.378204986560169 (1.31388e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.378204986365551 (3.61864e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 5.378204986298533 (1.24611e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 5.378204986252785 (8.50624e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 5.378204986222929 (5.55115e-10% change) linmin: converged after 7 iterations. iteration 31: trace = 5.378204986206837 (2.99208e-10% change) linmin: converged after 6 iterations. iteration 32: trace = 5.378204986199391 (1.38457e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 5.378204986194199 (9.65432e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.399713, 0.44029, 0.641795, 0.778307, 0.844568, 1.00149, 1.05803, 1.08222 elapsed time for k point: 0.28563666343688965 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.330842291784168 (1.63265% change) linmin: converged after 5 iterations. iteration 2: trace = 5.294046123339151 (0.692641% change) linmin: converged after 4 iterations. iteration 3: trace = 5.284981234186681 (0.171375% change) linmin: converged after 4 iterations. iteration 4: trace = 5.28249811940772 (0.0469954% change) linmin: converged after 5 iterations. iteration 5: trace = 5.281616824736327 (0.0166847% change) linmin: converged after 4 iterations. iteration 6: trace = 5.281190026018385 (0.00808116% change) linmin: converged after 4 iterations. iteration 7: trace = 5.281060361590542 (0.00245524% change) linmin: converged after 4 iterations. iteration 8: trace = 5.281017317052726 (0.000815077% change) linmin: converged after 5 iterations. iteration 9: trace = 5.281001279428515 (0.000303685% change) linmin: converged after 3 iterations. iteration 10: trace = 5.280995051890228 (0.000117924% change) linmin: converged after 3 iterations. iteration 11: trace = 5.280992817488498 (4.23102e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 5.280991955892316 (1.6315e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.280991779814332 (3.33418e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.280991731376506 (9.17211e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.28099171985713 (2.18129e-07% change) linmin: converged after 18 iterations. iteration 16: trace = 5.280991716887274 (5.62367e-08% change) linmin: converged after 21 iterations. iteration 17: trace = 5.28099171566233 (2.31953e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.280991715170654 (9.31031e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.280991714932147 (4.51631e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.280991714863474 (1.30038e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.280991714843211 (3.83712e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.280991714835514 (1.45748e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.280991714829542 (1.13087e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.280991714822688 (1.29771e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.280991714818069 (8.74725e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.410728, 0.444341, 0.636537, 0.78389, 0.839813, 0.968201, 1.03809, 1.08391 elapsed time for k point: 0.2182464599609375 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.13476428190627 (0.624371% change) linmin: converged after 5 iterations. iteration 2: trace = 5.124408367542941 (0.201886% change) linmin: converged after 4 iterations. iteration 3: trace = 5.12235773185 (0.040025% change) linmin: converged after 3 iterations. iteration 4: trace = 5.121744242387601 (0.0119774% change) linmin: converged after 3 iterations. iteration 5: trace = 5.121558726682731 (0.00362219% change) linmin: converged after 4 iterations. iteration 6: trace = 5.121477742069767 (0.00158126% change) linmin: converged after 4 iterations. iteration 7: trace = 5.121447904740879 (0.000582594% change) linmin: converged after 5 iterations. iteration 8: trace = 5.121439718676665 (0.000159839% change) linmin: converged after 5 iterations. iteration 9: trace = 5.121437287250298 (4.74755e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.121436809310325 (9.33215e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.121436715075803 (1.84e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.121436685510683 (5.77282e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.121436680112648 (1.05401e-07% change) linmin: converged after 6 iterations. iteration 14: trace = 5.121436678590912 (2.97131e-08% change) linmin: converged after 17 iterations. iteration 15: trace = 5.121436678180296 (8.0176e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.121436678101738 (1.53392e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.121436678082405 (3.77491e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.121436678073875 (1.66539e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.121436678060027 (2.70402e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 5.12143667804287 (3.35003e-10% change) linmin: converged after 6 iterations. iteration 21: trace = 5.121436678033492 (1.83118e-10% change) linmin: converged after 16 iterations. iteration 22: trace = 5.12143667802998 (6.85717e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.441866, 0.455742, 0.622718, 0.799069, 0.81865, 0.919493, 0.999313, 1.08532 elapsed time for k point: 0.19258785247802734 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.994388823456543 (0.316337% change) linmin: converged after 4 iterations. iteration 2: trace = 4.99023616339128 (0.0831811% change) linmin: converged after 4 iterations. iteration 3: trace = 4.989513812260405 (0.0144763% change) linmin: converged after 4 iterations. iteration 4: trace = 4.98934364711608 (0.00341051% change) linmin: converged after 3 iterations. iteration 5: trace = 4.989291241669111 (0.00105035% change) linmin: converged after 4 iterations. iteration 6: trace = 4.989274244813398 (0.000340667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.989267787671067 (0.000129421% change) linmin: converged after 4 iterations. iteration 8: trace = 4.989266097922147 (3.38677e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.989265604082183 (9.89805e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.989265515601321 (1.77342e-06% change) linmin: converged after 11 iterations. iteration 11: trace = 4.989265501206924 (2.88507e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.989265496708834 (9.01554e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.989265495704011 (2.01397e-08% change) linmin: converged after 7 iterations. iteration 14: trace = 4.989265495448895 (5.1133e-09% change) linmin: converged after 15 iterations. iteration 15: trace = 4.989265495393173 (1.11683e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.989265495383632 (1.91245e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 4.98926549538112 (5.03435e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.472164, 0.488272, 0.604358, 0.769828, 0.821208, 0.893668, 0.95752, 1.08635 elapsed time for k point: 0.1502699851989746 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.90913853684423 (0.232394% change) linmin: converged after 4 iterations. iteration 2: trace = 4.906563118934626 (0.0524755% change) linmin: converged after 4 iterations. iteration 3: trace = 4.906119641584224 (0.00903886% change) linmin: converged after 3 iterations. iteration 4: trace = 4.906037816827277 (0.00166782% change) linmin: converged after 3 iterations. iteration 5: trace = 4.906013084889064 (0.000504114% change) linmin: converged after 15 iterations. iteration 6: trace = 4.906007389591639 (0.000116088% change) linmin: converged after 4 iterations. iteration 7: trace = 4.906005834953563 (3.16885e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.906005406698473 (8.7292e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.906005254385205 (3.10463e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.906005216417501 (7.73903e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.906005209418558 (1.42661e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.906005206803117 (5.3311e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.906005206252114 (1.12312e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.906005206142126 (2.24191e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.906005206125053 (3.47993e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 4.9060052061207 (8.87272e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.488979, 0.542408, 0.586566, 0.707953, 0.84869, 0.885188, 0.917534, 1.08708 elapsed time for k point: 0.14159035682678223 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.880387825180089 (0.204402% change) linmin: converged after 4 iterations. iteration 2: trace = 4.878237626560894 (0.0440677% change) linmin: converged after 4 iterations. iteration 3: trace = 4.877861752867051 (0.00770541% change) linmin: converged after 4 iterations. iteration 4: trace = 4.87779955496077 (0.00127511% change) linmin: converged after 2 iterations. iteration 5: trace = 4.87778093266697 (0.000381777% change) linmin: converged after 3 iterations. iteration 6: trace = 4.877777338735235 (7.36797e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.877776722798965 (1.26274e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.877776610093838 (2.31058e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.877776584075414 (5.33407e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.877776575591742 (1.73925e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.877776573289272 (4.72033e-08% change) linmin: converged after 16 iterations. iteration 12: trace = 4.877776572070437 (2.49875e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.877776571775758 (6.04126e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.877776571718368 (1.17657e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.877776571708919 (1.93704e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.877776571705259 (7.50379e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.497098, 0.578181, 0.578182, 0.668913, 0.878731, 0.883217, 0.88322, 1.08735 elapsed time for k point: 0.1413576602935791 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.939234288026448 (0.398492% change) linmin: converged after 4 iterations. iteration 2: trace = 4.93470521188018 (0.091738% change) linmin: converged after 4 iterations. iteration 3: trace = 4.933808978362514 (0.0181635% change) linmin: converged after 4 iterations. iteration 4: trace = 4.933618724668577 (0.0038562% change) linmin: converged after 4 iterations. iteration 5: trace = 4.933561794539683 (0.00115393% change) linmin: converged after 5 iterations. iteration 6: trace = 4.933546467636372 (0.000310667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.933542429887028 (8.18428e-05% change) linmin: converged after 7 iterations. iteration 8: trace = 4.933541498295165 (1.88828e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 4.933541269558875 (4.63635e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.933541218844868 (1.02794e-06% change) linmin: converged after 10 iterations. iteration 11: trace = 4.933541212739486 (1.23753e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.93354121075146 (4.02961e-08% change) linmin: converged after 17 iterations. iteration 13: trace = 4.933541210308098 (8.98668e-09% change) linmin: converged after 10 iterations. iteration 14: trace = 4.93354121023129 (1.55685e-09% change) linmin: converged after 7 iterations. iteration 15: trace = 4.93354121021697 (2.9026e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.933541210214669 (4.66454e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.466856, 0.53849, 0.591576, 0.732347, 0.837964, 0.88299, 0.936299, 1.08665 elapsed time for k point: 0.1419050693511963 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.099507112162795 (0.487571% change) linmin: converged after 5 iterations. iteration 2: trace = 5.090581721310942 (0.175178% change) linmin: converged after 4 iterations. iteration 3: trace = 5.088071827632362 (0.0493168% change) linmin: converged after 4 iterations. iteration 4: trace = 5.087225562916218 (0.0166337% change) linmin: converged after 4 iterations. iteration 5: trace = 5.086961938953286 (0.00518221% change) linmin: converged after 4 iterations. iteration 6: trace = 5.086853665324338 (0.00212848% change) linmin: converged after 4 iterations. iteration 7: trace = 5.086807094856566 (0.000915511% change) linmin: converged after 4 iterations. iteration 8: trace = 5.086793518222223 (0.000266899% change) linmin: converged after 3 iterations. iteration 9: trace = 5.086790021445188 (6.87423e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.086789203381461 (1.60821e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.086789045520227 (3.10336e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.086788991806467 (1.05595e-06% change) linmin: converged after 27 iterations. iteration 13: trace = 5.086788981872507 (1.95289e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.086788979939785 (3.79949e-08% change) linmin: converged after 14 iterations. iteration 15: trace = 5.086788979425323 (1.01137e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.086788979343622 (1.60616e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 5.086788979319495 (4.74297e-10% change) linmin: converged after 6 iterations. iteration 18: trace = 5.086788979306893 (2.47747e-10% change) linmin: converged after 5 iterations. iteration 19: trace = 5.086788979301445 (1.07103e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.086788979299675 (3.47988e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.365915, 0.534301, 0.628951, 0.8052, 0.817085, 0.882667, 1.0025, 1.08247 elapsed time for k point: 0.17596745491027832 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.309330906730366 (0.847184% change) linmin: converged after 5 iterations. iteration 2: trace = 5.280371277324686 (0.546939% change) linmin: converged after 4 iterations. iteration 3: trace = 5.269934727134828 (0.197844% change) linmin: converged after 4 iterations. iteration 4: trace = 5.265762219364268 (0.0792071% change) linmin: converged after 4 iterations. iteration 5: trace = 5.264459973518454 (0.0247335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.263804604149954 (0.0124497% change) linmin: converged after 3 iterations. iteration 7: trace = 5.263469633537643 (0.00636386% change) linmin: converged after 3 iterations. iteration 8: trace = 5.263325108730886 (0.00274585% change) linmin: converged after 4 iterations. iteration 9: trace = 5.263272539866867 (0.000998782% change) linmin: converged after 3 iterations. iteration 10: trace = 5.26326112202176 (0.000216935% change) linmin: converged after 3 iterations. iteration 11: trace = 5.263257754583086 (6.39801e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.263256795625344 (1.82199e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.263256607031203 (3.58322e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 5.263256551248043 (1.05986e-06% change) linmin: converged after 13 iterations. iteration 15: trace = 5.263256530468793 (3.94798e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.263256521693533 (1.66727e-07% change) linmin: converged after 27 iterations. iteration 17: trace = 5.263256515340482 (1.20706e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.263256513415702 (3.65701e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.263256512765321 (1.2357e-08% change) linmin: converged after 6 iterations. iteration 20: trace = 5.263256512526156 (4.54405e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.263256512381849 (2.74178e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.263256512320005 (1.17501e-09% change) linmin: converged after 9 iterations. iteration 23: trace = 5.263256512296811 (4.40676e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.263256512290631 (1.17434e-10% change) linmin: converged after 8 iterations. iteration 25: trace = 5.263256512288841 (3.40033e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.247333, 0.542781, 0.682198, 0.781369, 0.883491, 0.892769, 1.05714, 1.06602 elapsed time for k point: 0.21809792518615723 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.410850204127005 (1.34359% change) linmin: converged after 6 iterations. iteration 2: trace = 5.374437224942625 (0.675234% change) linmin: converged after 4 iterations. iteration 3: trace = 5.366093703692516 (0.155365% change) linmin: converged after 4 iterations. iteration 4: trace = 5.363891157767917 (0.041054% change) linmin: converged after 3 iterations. iteration 5: trace = 5.363304623246416 (0.0109355% change) linmin: converged after 4 iterations. iteration 6: trace = 5.363093120245598 (0.0039436% change) linmin: converged after 3 iterations. iteration 7: trace = 5.363009973967515 (0.00155035% change) linmin: converged after 3 iterations. iteration 8: trace = 5.362962308859964 (0.000888779% change) linmin: converged after 4 iterations. iteration 9: trace = 5.362928148998121 (0.000636961% change) linmin: converged after 5 iterations. iteration 10: trace = 5.362908167195362 (0.000372592% change) linmin: converged after 5 iterations. iteration 11: trace = 5.362897445563105 (0.000199922% change) linmin: converged after 4 iterations. iteration 12: trace = 5.362890832294542 (0.000123315% change) linmin: converged after 4 iterations. iteration 13: trace = 5.362888873060324 (3.65332e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 5.362888159903073 (1.3298e-05% change) linmin: converged after 6 iterations. iteration 15: trace = 5.362887935137351 (4.19113e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.362887877004725 (1.08398e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.362887858604058 (3.43111e-07% change) linmin: converged after 21 iterations. iteration 18: trace = 5.362887851988784 (1.23353e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.362887849877566 (3.93672e-08% change) linmin: converged after 6 iterations. iteration 20: trace = 5.362887849213482 (1.2383e-08% change) linmin: converged after 14 iterations. iteration 21: trace = 5.362887849013011 (3.73813e-09% change) linmin: converged after 22 iterations. iteration 22: trace = 5.362887848952656 (1.12541e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 5.362887848922163 (5.68608e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.362887848904128 (3.36283e-10% change) linmin: converged after 8 iterations. iteration 25: trace = 5.362887848892482 (2.17155e-10% change) linmin: converged after 10 iterations. iteration 26: trace = 5.3628878488858 (1.24609e-10% change) linmin: converged after 9 iterations. iteration 27: trace = 5.362887848881171 (8.63023e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.124412, 0.55106, 0.736012, 0.76647, 0.888039, 0.959199, 1.0268, 1.07311 elapsed time for k point: 0.23565435409545898 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.461006864425569 (1.06365% change) linmin: converged after 5 iterations. iteration 2: trace = 5.43287145072354 (0.516536% change) linmin: converged after 5 iterations. iteration 3: trace = 5.422688497725469 (0.187608% change) linmin: converged after 5 iterations. iteration 4: trace = 5.417696175033932 (0.092106% change) linmin: converged after 3 iterations. iteration 5: trace = 5.416105680836621 (0.0293617% change) linmin: converged after 4 iterations. iteration 6: trace = 5.415171295306386 (0.0172535% change) linmin: converged after 4 iterations. iteration 7: trace = 5.414783176173597 (0.00716751% change) linmin: converged after 4 iterations. iteration 8: trace = 5.414648244037251 (0.00249195% change) linmin: converged after 4 iterations. iteration 9: trace = 5.414594483992644 (0.000992868% change) linmin: converged after 4 iterations. iteration 10: trace = 5.414576265046092 (0.000336479% change) linmin: converged after 3 iterations. iteration 11: trace = 5.414564861065954 (0.000210617% change) linmin: converged after 4 iterations. iteration 12: trace = 5.414555419968607 (0.000174365% change) linmin: converged after 6 iterations. iteration 13: trace = 5.414537376508481 (0.00033324% change) large trace change predicted (0.000679766%) linmin: converged after 6 iterations. iteration 14: trace = 5.414500552999675 (0.000680088% change) linmin: converged after 5 iterations. iteration 15: trace = 5.414478702492978 (0.000403556% change) linmin: converged after 4 iterations. iteration 16: trace = 5.414472728542544 (0.000110333% change) linmin: converged after 4 iterations. iteration 17: trace = 5.414471330541815 (2.58197e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 5.414470844198767 (8.98228e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.414470719354935 (2.30574e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 5.414470681314292 (7.02574e-07% change) linmin: converged after 10 iterations. iteration 21: trace = 5.414470670480568 (2.00088e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 5.414470667611983 (5.298e-08% change) linmin: converged after 19 iterations. iteration 23: trace = 5.414470666661457 (1.75553e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 5.414470666362713 (5.51751e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.414470666267753 (1.75383e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.41447066622195 (8.45927e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.414470666193714 (5.21493e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.414470666171702 (4.06535e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.414470666155406 (3.00977e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.414470666140542 (2.74534e-10% change) linmin: converged after 9 iterations. iteration 31: trace = 5.414470666122154 (3.39591e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.4144706661028 (3.57455e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 5.414470666086904 (2.93595e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.414470666075434 (2.11822e-10% change) linmin: converged after 6 iterations. iteration 35: trace = 5.414470666069086 (1.17254e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 5.414470666066698 (4.40934e-11% change) Finished solving for bands 2 to 8 after 36 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 F.elapsed time for k point: 0.24826455116271973 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.497097784377299 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.440289641050596 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814887 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5781815082009816 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255624 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6689126424359769 at Vector3<0.5, 0.5, 0.0> to 0.8051999839699233 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8170847453549132 at Vector3<0.3, 0.3, 0.0> to 0.8940893915924555 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8826671164993887 at Vector3<0.3, 0.3, 0.0> to 1.0014926328155074 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8832199143682118 at Vector3<0.5, 0.5, 0.0> to 1.0580309832489807 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0660233597945306 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.0873458295555538 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5781812856814887) to band 3 (0.5781815082009816), 3.8486103843708376e-05% Gap from band 4 (0.8051999839699233) to band 5 (0.8170847453549132), 1.4651880980148344% Gap from band 7 (1.0580309832489807) to band 8 (1.0660233597945306), 0.752558574758285% total elapsed time for run: 3.329960823059082 done /tmp/meepW1wGQn/test_epsilon_input_file-0: 3.33s /tmp/meepW1wGQn/test_first_brillouin_zone-0 ======================== /tmp/meepW1wGQn/test_first_brillouin_zone-0: 0.41s /tmp/meepW1wGQn/test_fractional_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 4 x 4 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.1, 0, 0) (0, 0.1, 0) (0, 0, 1) Cell volume = 0.01 Reciprocal lattice vectors (/ 2 pi): (10, -0, 0) (-0, 10, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 9 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0009510517120361328 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... linmin: converged after 9 iterations. iteration 1: trace = 94.4811423715298 (61.751% change) linmin: converged after 7 iterations. iteration 2: trace = 83.85049109174184 (11.9223% change) linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 57.3964%) iteration 3: trace = 83.34611109428172 (0.603338% change) iteration 4: trace = 83.33359978597156 (0.0150124% change) iteration 5: trace = 83.33333949085095 (0.000312354% change) iteration 6: trace = 83.33333352466074 (7.15943e-06% change) iteration 7: trace = 83.3333333365708 (2.25708e-07% change) iteration 8: trace = 83.33333333338271 (3.82571e-09% change) iteration 9: trace = 83.33333333333447 (5.7895e-11% change) Finished solving for bands 2 to 8 after 9 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 elapsed time for k point: 0.003351449966430664 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 10 iterations. iteration 1: trace = 82.33333333334653 (0.722248% change) linmin: converged after 2 iterations. iteration 2: trace = 82.33333333333383 (1.54306e-11% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 1, 0.288675, 2.59808, 2.90115, 2.90115, 3.17543, 3.88373, 3.88373, 4.29146 elapsed time for k point: 0.0020132064819335938 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 82.6666666666667 (6.01669e-13% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 2, 0.57735, 2.3094, 2.94392, 2.94392, 3.4641, 3.69685, 3.69685, 4.50925 elapsed time for k point: 0.0007393360137939453 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 84.33333333333334 (5.05524e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 3, 0.866025, 2.02073, 3.01386, 3.01386, 3.52373, 3.52373, 3.75278, 4.73462 elapsed time for k point: 0.0007183551788330078 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 87.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 4, 1.1547, 1.73205, 3.10913, 3.10913, 3.3665, 3.3665, 4.04145, 4.96655 elapsed time for k point: 0.0007147789001464844 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 47 iterations. iteration 1: trace = 91.66666666666666 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 5, 1.44338, 1.44338, 3.22749, 3.22749, 3.22749, 3.22749, 4.33013, 5.20416 elapsed time for k point: 0.0013997554779052734 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 8 iterations. switching to approximate line minimization (decrease time by 65.8436%) iteration 1: trace = 90.66666666672697 (3.571% change) iteration 2: trace = 90.6666672264862 (6.17382e-07% change) iteration 3: trace = 90.66666666666707 (6.17448e-07% change) iteration 4: trace = 90.66666666666671 (3.91843e-13% change) Finished solving for bands 1 to 8 after 4 iterations. tefreqs:, 7, 0.5, 0.1, 0, 5.09902, 1.47196, 1.47196, 2.97209, 2.97209, 3.48807, 3.48807, 4.33974, 5.04975 elapsed time for k point: 0.0012679100036621094 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91 (9.36979e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 8, 0.5, 0.2, 0, 5.38516, 1.55456, 1.55456, 2.72336, 2.72336, 3.75278, 3.75278, 4.36845, 4.90748 elapsed time for k point: 0.0007135868072509766 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 59.8086%) iteration 1: trace = 92.66666666666669 (1.53355e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 9, 0.5, 0.3, 0, 5.83095, 1.68325, 1.68325, 2.48328, 2.48328, 4.02078, 4.02078, 4.41588, 4.77842 elapsed time for k point: 0.0008194446563720703 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 61.0837%) iteration 1: trace = 95.66666666666669 (2.97091e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 6.40312, 1.84842, 1.84842, 2.25462, 2.25462, 4.29146, 4.29146, 4.48144, 4.66369 elapsed time for k point: 0.0008001327514648438 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 45 iterations. iteration 1: trace = 99.99999999999999 (2.84217e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 7.07107, 2.04124, 2.04124, 2.04124, 2.04124, 4.56435, 4.56435, 4.56435, 4.56435 elapsed time for k point: 0.0013682842254638672 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.33333333333334 (1.55593e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 12, 0.4, 0.4, 0, 5.65685, 1.63299, 2.08167, 2.08167, 2.44949, 4.20317, 4.20317, 4.39697, 4.39697 elapsed time for k point: 0.0007121562957763672 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 57.2165%) iteration 1: trace = 85.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224 elapsed time for k point: 0.0007834434509277344 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 57.5916%) iteration 1: trace = 82 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333 elapsed time for k point: 0.0007843971252441406 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 65.5172%) iteration 1: trace = 81.33333333333333 (1.74724e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 1.41421, 0.408248, 2.61406, 2.61406, 3.18852, 3.18852, 3.67423, 4.10284, 4.10284 elapsed time for k point: 0.0008311271667480469 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 83.33333333333331 (0% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 .elapsed time for k point: 0.0006718635559082031 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.0412414523193143 at Vector3<0.5, 0.5, 0.0> Band 2 range: 1.4433756729740648 at Vector3<0.5, 0.0, 0.0> to 2.8867513459481358 at Vector3<0.0, 0.0, 0.0> Band 3 range: 2.0412414523193156 at Vector3<0.5, 0.5, 0.0> to 3.2274861218395086 at Vector3<0.5, 0.0, 0.0> Band 4 range: 2.0412414523193165 at Vector3<0.5, 0.5, 0.0> to 3.2659863237109032 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 2.886751345948131 at Vector3<0.0, 0.0, 0.0> to 4.564354645876384 at Vector3<0.5, 0.5, 0.0> Band 6 range: 3.2274861218395143 at Vector3<0.5, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0> Band 7 range: 3.6968455021364717 at Vector3<0.2, 0.0, 0.0> to 4.564354645876387 at Vector3<0.5, 0.5, 0.0> Band 8 range: 4.082482904638633 at Vector3<0.0, 0.0, 0.0> to 5.204164998665332 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 0.01953864097595215 done /tmp/meepW1wGQn/test_fractional_lattice-0: 0.02s /tmp/meepW1wGQn/test_get_bfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004728794097900391 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.36032938957214355 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.0298066139221191 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.225189208984375 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.2091536521911621 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.24207043647766113 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.37711048126220703 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.2848508358001709 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.24214696884155273 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.20892786979675293 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.19982624053955078 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.19942951202392578 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.15786361694335938 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.1833631992340088 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.2509026527404785 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2932441234588623 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6334874629974365 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.103773832321167 done Fixing b-field (band 8) phase by -1 + 2.64645e-07i; max ampl. = 4.48388 ./tmp/meepW1wGQn/test_get_bfield-0: 5.11s /tmp/meepW1wGQn/test_get_dfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004743337631225586 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3576335906982422 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.031367540359497 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.2257077693939209 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20941162109375 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.2424323558807373 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3775296211242676 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.28528571128845215 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.24263739585876465 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.20920777320861816 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.20017051696777344 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.1997051239013672 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.1578385829925537 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.18332242965698242 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.251251220703125 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2936434745788574 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6351437568664551 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.108369827270508 done Fixing d-field (band 8) phase by 2.64645e-07 + 1i; max ampl. = 8.66842 ./tmp/meepW1wGQn/test_get_dfield-0: 5.11s /tmp/meepW1wGQn/test_get_efield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004746913909912109 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3580915927886963 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.02854323387146 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.2250533103942871 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20900940895080566 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.24178767204284668 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.37659525871276855 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.28443312644958496 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.241990327835083 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.20859313011169434 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.1995375156402588 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.19913315773010254 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.15751957893371582 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.18508577346801758 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.2506883144378662 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2930171489715576 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.635326623916626 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.10053277015686 done Fixing e-field (band 8) phase by 2.64645e-07 + 1i; max ampl. = 1.10099 ./tmp/meepW1wGQn/test_get_efield-0: 5.11s /tmp/meepW1wGQn/test_get_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.00475001335144043 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3584296703338623 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 0.791203 + 0.611554i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -0.804161 + -0.594412i; max ampl. = 4.27896 Fixing h-field (band 4) phase by 0.925589 + 0.37853i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 0.921393 + 0.388632i; max ampl. = 1.75894 Fixing h-field (band 6) phase by -0.798747 + 0.601666i; max ampl. = 3.7555 Fixing h-field (band 7) phase by -0.914893 + 0.403697i; max ampl. = 3.75555 Fixing h-field (band 8) phase by -0.0496898 + 0.998765i; max ampl. = 4.48388 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.58124402669662 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490702 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957964 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527063 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966886 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299335 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122116 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 8 iterations. iteration 9: trace = 5.567558435607937 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488482845 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480649534 (0.000682679% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724776969 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.567411215316534 (9.89591e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796401023 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186009108 (1.09637e-05% change) linmin: converged after 8 iterations. iteration 16: trace = 5.56740889897318 (5.15565e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776894828 (2.19273e-06% change) linmin: converged after 19 iterations. iteration 18: trace = 5.567408723108468 (9.66093e-07% change) linmin: converged after 10 iterations. iteration 19: trace = 5.567408704726397 (3.30173e-07% change) linmin: converged after 16 iterations. iteration 20: trace = 5.567408695926603 (1.58059e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.567408689563612 (1.1429e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.567408680883299 (1.55913e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 5.567408666017958 (2.67006e-07% change) linmin: converged after 10 iterations. iteration 24: trace = 5.567408645090168 (3.75898e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614766274 (5.44668e-07% change) large trace change predicted (2.01e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502876775 (2.00972e-06% change) near maximum in trace linmin: converged after 19 iterations. iteration 27: trace = 5.566934934664623 (0.00850644% change) linmin: converged after 7 iterations. iteration 28: trace = 5.566934629463351 (5.48239e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.566934324288981 (5.48191e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566934019198374 (5.48041e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933714277617 (5.47736e-06% change) linmin: converged after 11 iterations. iteration 32: trace = 5.566933409600665 (5.47298e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933105230367 (5.46747e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.566932801219423 (5.46101e-06% change) linmin: converged after 11 iterations. iteration 35: trace = 5.566932497611218 (5.45378e-06% change) linmin: converged after 6 iterations. iteration 36: trace = 5.566932194440807 (5.44592e-06% change) linmin: converged after 4 iterations. iteration 37: trace = 5.566931891735589 (5.43756e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.566931589516161 (5.42883e-06% change) linmin: converged after 5 iterations. iteration 39: trace = 5.566931287796992 (5.41985e-06% change) linmin: converged after 16 iterations. iteration 40: trace = 5.566930986587122 (5.4107e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.56693068585132 (5.40218e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930385668058 (5.39226e-06% change) linmin: converged after 18 iterations. iteration 43: trace = 5.566930085994021 (5.38311e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929786793262 (5.37461e-06% change) linmin: converged after 8 iterations. iteration 45: trace = 5.566929488112548 (5.36527e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929189910378 (5.35667e-06% change) linmin: converged after 6 iterations. iteration 47: trace = 5.566928892171577 (5.34835e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928594879015 (5.34033e-06% change) linmin: converged after 6 iterations. iteration 49: trace = 5.566928297991141 (5.33306e-06% change) linmin: converged after 8 iterations. iteration 50: trace = 5.566928001533106 (5.32534e-06% change) linmin: converged after 10 iterations. iteration 51: trace = 5.566927705454795 (5.31852e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927409742615 (5.31195e-06% change) linmin: converged after 9 iterations. iteration 53: trace = 5.56692711435626 (5.30609e-06% change) linmin: converged after 13 iterations. iteration 54: trace = 5.566926819302012 (5.30013e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926524533804 (5.29499e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.566926230035795 (5.29014e-06% change) linmin: converged after 9 iterations. iteration 57: trace = 5.5669259357777 (5.28583e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925641726479 (5.28211e-06% change) linmin: converged after 6 iterations. iteration 59: trace = 5.566925347860622 (5.27878e-06% change) linmin: converged after 11 iterations. iteration 60: trace = 5.566925054157485 (5.27586e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 5.566924760598976 (5.27326e-06% change) linmin: converged after 8 iterations. iteration 62: trace = 5.566924467142523 (5.27143e-06% change) linmin: converged after 8 iterations. iteration 63: trace = 5.566924173770003 (5.26992e-06% change) linmin: converged after 8 iterations. iteration 64: trace = 5.566923880461133 (5.26878e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923587178012 (5.26832e-06% change) linmin: converged after 15 iterations. iteration 66: trace = 5.56692329390552 (5.26813e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566923000608369 (5.26857e-06% change) linmin: converged after 6 iterations. iteration 68: trace = 5.566922707269629 (5.26932e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922413856453 (5.27065e-06% change) resetting CG direction... large trace change predicted (0.0754113%) linmin: converged after 3 iterations. iteration 70: trace = 5.562719071448081 (0.0755342% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559517571961156 (0.0575693% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793804095433 (0.0490049% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012636034723 (0.0500624% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200806154505 (0.0360989% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550550221946049 (0.0262613% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549459471118412 (0.0196532% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475869713973 (0.0177258% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115733953259 (0.0245167% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545235969594288 (0.033893% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543227533404524 (0.0362257% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884019384939 (0.02424% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240014866071 (0.0116214% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832114432106 (0.00736145% change) linmin: converged after 7 iterations. iteration 84: trace = 5.540632045478716 (0.00361088% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551143177836 (0.00146017% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517925523275 (0.000599539% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507556115552 (0.000187156% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503149541244 (7.95338e-05% change) linmin: converged after 4 iterations. iteration 89: trace = 5.540501492675602 (2.99046e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500762706278 (1.31751e-05% change) linmin: converged after 5 iterations. iteration 91: trace = 5.540500243319353 (9.37437e-06% change) linmin: converged after 5 iterations. iteration 92: trace = 5.540499809116151 (7.8369e-06% change) linmin: converged after 12 iterations. iteration 93: trace = 5.54049950964446 (5.40514e-06% change) linmin: converged after 6 iterations. iteration 94: trace = 5.540499191210105 (5.74739e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498774414834 (7.5227e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498240912477 (9.62914e-06% change) linmin: converged after 3 iterations. iteration 97: trace = 5.540497715023995 (9.49172e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529861806 (3.34198e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433690638 (1.73579e-06% change) linmin: converged after 9 iterations. iteration 100: trace = 5.540497373456381 (1.08716e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497321130279 (9.4443e-07% change) linmin: converged after 6 iterations. iteration 102: trace = 5.540497282521537 (6.96846e-07% change) linmin: converged after 6 iterations. iteration 103: trace = 5.54049726039515 (3.99357e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250203146 (1.83955e-07% change) linmin: converged after 7 iterations. iteration 105: trace = 5.540497245819818 (7.91143e-08% change) linmin: converged after 3 iterations. iteration 106: trace = 5.540497244284913 (2.77034e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 5.540497243566909 (1.29592e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724324261 (5.85324e-09% change) linmin: converged after 16 iterations. iteration 109: trace = 5.540497243054833 (3.38917e-09% change) linmin: converged after 4 iterations. iteration 110: trace = 5.540497242950316 (1.88642e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242907483 (7.73095e-10% change) linmin: converged after 4 iterations. iteration 112: trace = 5.540497242873274 (6.17437e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242838844 (6.21413e-10% change) linmin: converged after 9 iterations. iteration 114: trace = 5.540497242786493 (9.44879e-10% change) linmin: converged after 10 iterations. iteration 115: trace = 5.54049724272102 (1.18172e-09% change) linmin: converged after 17 iterations. iteration 116: trace = 5.54049724265741 (1.1481e-09% change) linmin: converged after 12 iterations. iteration 117: trace = 5.540497242618518 (7.01951e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597607 (3.77426e-10% change) linmin: converged after 6 iterations. iteration 119: trace = 5.540497242587008 (1.9131e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581493 (9.95344e-11% change) Finished solving for bands 1 to 8 after 120 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.0245287418365479 Fixing h-field (band 1) phase by -1 + 2.57281e-07i; max ampl. = 1.02721 Fixing h-field (band 2) phase by -0.999999 + 0.00112568i; max ampl. = 5.09036 Fixing h-field (band 3) phase by 0.000418593 + -1i; max ampl. = 3.73535 Fixing h-field (band 4) phase by -0.000247303 + -1i; max ampl. = 4.23726 Fixing h-field (band 5) phase by -1 + -7.0619e-05i; max ampl. = 1.49733 Fixing h-field (band 6) phase by 0.000421239 + 1i; max ampl. = 3.68915 Fixing h-field (band 7) phase by 2.53901e-05 + 1i; max ampl. = 2.46425 Fixing h-field (band 8) phase by 0.999999 + -0.0013509i; max ampl. = 4.67306 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285144119286 (0.408523% change) linmin: converged after 3 iterations. iteration 2: trace = 5.5038470367542 (0.189471% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358089472 (0.0546618% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875092278896 (0.017531% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680463544 (0.00664422% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768356382 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110636524 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402853585 (0.000212892% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154617851 (7.72494e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203339125 (3.54818e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.499375450159418 (1.36957e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151069001 (5.43863e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016514144 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968568551 (8.71837e-07% change) linmin: converged after 8 iterations. iteration 15: trace = 5.499374952686733 (2.88793e-07% change) linmin: converged after 11 iterations. iteration 16: trace = 5.499374947906202 (8.69286e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946846766 (1.92647e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.499374946586923 (4.72495e-09% change) linmin: converged after 5 iterations. iteration 19: trace = 5.499374946460838 (2.29271e-09% change) linmin: converged after 11 iterations. iteration 20: trace = 5.499374946408684 (9.48359e-10% change) linmin: converged after 15 iterations. iteration 21: trace = 5.499374946373914 (6.32261e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.499374946343755 (5.48408e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.499374946310093 (6.12105e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.499374946288386 (3.94719e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.499374946279795 (1.56208e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.49937494627607 (6.77353e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.22607088088989258 Fixing h-field (band 1) phase by 1 + 1.61217e-11i; max ampl. = 1.11365 Fixing h-field (band 2) phase by 1 + 6.15478e-09i; max ampl. = 4.92243 Fixing h-field (band 3) phase by 1.60678e-09 + 1i; max ampl. = 2.65638 Fixing h-field (band 4) phase by -1.44379e-08 + 1i; max ampl. = 4.33159 Fixing h-field (band 5) phase by -9.02646e-10 + -1i; max ampl. = 4.52032 Fixing h-field (band 6) phase by 2.49928e-07 + 1i; max ampl. = 3.38228 Fixing h-field (band 7) phase by -1 + 5.86501e-10i; max ampl. = 2.75759 Fixing h-field (band 8) phase by -1 + -1.38204e-06i; max ampl. = 4.29116 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070113938 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109208944 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111959905 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983977862 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009584423 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149771 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634502 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450187 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302664 (1.14345e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 5.485459175740711 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224631 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856719 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.48545909016155 (1.94973e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 32 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639282 (1.67218e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 5.485459080258167 (6.94773e-09% change) linmin: converged after 12 iterations. iteration 20: trace = 5.485459080162861 (1.73743e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117768 (8.22043e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098435 (3.52441e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091232 (1.31313e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.48545908008786 (6.1463e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20975804328918457 Fixing h-field (band 1) phase by 1 + 1.47077e-15i; max ampl. = 1.27437 Fixing h-field (band 2) phase by -1 + 2.18007e-13i; max ampl. = 4.45322 Fixing h-field (band 3) phase by 1 + 1.96023e-13i; max ampl. = 2.62315 Fixing h-field (band 4) phase by 1.40359e-09 + 1i; max ampl. = 4.45542 Fixing h-field (band 5) phase by 3.359e-14 + -1i; max ampl. = 5.0129 Fixing h-field (band 6) phase by -1.51359e-09 + 1i; max ampl. = 2.79024 Fixing h-field (band 7) phase by 1 + -7.01759e-14i; max ampl. = 2.99991 Fixing h-field (band 8) phase by -1 + 2.44475e-08i; max ampl. = 3.46534 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023686833 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601553619 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987767629 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809284191 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433616 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742667415 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728561 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831496 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534807 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715236 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450917 (9.36939e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.504366787323709 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496826 (4.82858e-05% change) linmin: converged after 8 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.5043624297593 (8.49034e-06% change) linmin: converged after 16 iterations. iteration 16: trace = 5.504362239277653 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575838 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121910037 (8.29629e-07% change) linmin: converged after 10 iterations. iteration 19: trace = 5.504362102222104 (3.57679e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716775 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490949 (4.04375e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750802 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362605 (7.05253e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126041 (4.29776e-09% change) linmin: converged after 13 iterations. iteration 25: trace = 5.504362092030185 (1.74145e-09% change) linmin: converged after 5 iterations. iteration 26: trace = 5.504362091995297 (6.33818e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984244 (2.00811e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.504362091981043 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.2430095672607422 Fixing h-field (band 1) phase by 1 + 9.51312e-17i; max ampl. = 1.5052 Fixing h-field (band 2) phase by -1 + -3.44712e-14i; max ampl. = 3.59052 Fixing h-field (band 3) phase by -1 + -2.0257e-15i; max ampl. = 3.69829 Fixing h-field (band 4) phase by 3.07057e-11 + 1i; max ampl. = 4.56151 Fixing h-field (band 5) phase by -8.72097e-15 + 1i; max ampl. = 5.08436 Fixing h-field (band 6) phase by -5.98777e-11 + 1i; max ampl. = 1.72494 Fixing h-field (band 7) phase by 1 + 8.45303e-15i; max ampl. = 3.24171 Fixing h-field (band 8) phase by -2.71631e-10 + -1i; max ampl. = 3.16645 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373862 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679672646 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061441681 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343225522 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553208994 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996625623 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367587748 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112762307 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533712023 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952462908 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116720335 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334261627 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190658 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693795 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646653383 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689386 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647862 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294845 (8.31099e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 5.538868744327781 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295108 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490529 (5.88215e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 5.538867707344381 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765341 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460335 (2.49699e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566908 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786915 (1.60285e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 5.538866990688314 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904154199 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877340356 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035873 (1.13823e-07% change) linmin: converged after 22 iterations. iteration 32: trace = 5.538866869549303 (2.68389e-08% change) linmin: converged after 2 iterations. iteration 33: trace = 5.538866869089931 (8.29361e-09% change) linmin: converged after 12 iterations. iteration 34: trace = 5.538866868883874 (3.72021e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762657 (2.18848e-09% change) linmin: converged after 12 iterations. iteration 36: trace = 5.538866868693194 (1.2541e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641606 (9.31383e-10% change) linmin: converged after 5 iterations. iteration 38: trace = 5.538866868615253 (4.75786e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605679 (1.72861e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600133 (1.00125e-10% change) linmin: converged after 6 iterations. iteration 41: trace = 5.53886686859085 (1.67602e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.53886686857351 (3.13059e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559315 (2.56277e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 5.538866868553962 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.377866268157959 Fixing h-field (band 1) phase by 1 + 1.10575e-15i; max ampl. = 1.38878 Fixing h-field (band 2) phase by 1 + -1.82613e-15i; max ampl. = 3.48407 Fixing h-field (band 3) phase by 1 + 3.82655e-16i; max ampl. = 4.1103 Fixing h-field (band 4) phase by 3.09369e-13 + -1i; max ampl. = 4.60286 Fixing h-field (band 5) phase by 5.53503e-14 + -1i; max ampl. = 4.98821 Fixing h-field (band 6) phase by 1 + 8.87221e-12i; max ampl. = 2.6134 Fixing h-field (band 7) phase by 1 + 1.04482e-14i; max ampl. = 4.2595 Fixing h-field (band 8) phase by 3.81834e-12 + 1i; max ampl. = 3.64602 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033707377 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081940019 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780904568 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741528 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084502 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869311 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031443 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599877 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792464 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109818 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680855 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901293 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.41979898405777 (5.90214e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 9 iterations. iteration 15: trace = 5.419797850965191 (5.51151e-06% change) linmin: converged after 7 iterations. iteration 16: trace = 5.419797772322772 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546729 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.41979773857351 (1.84015e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.419797735608422 (5.47085e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734089002 (2.80346e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507763 (1.07244e-08% change) linmin: converged after 11 iterations. iteration 22: trace = 5.419797733261656 (4.54089e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151178 (2.03841e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102882 (8.91096e-10% change) linmin: converged after 2 iterations. iteration 25: trace = 5.419797733077008 (4.77406e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.419797733054173 (4.21327e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733031984 (4.09413e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.419797733016724 (2.81557e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.419797733003427 (2.4534e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 5.419797732989453 (2.57827e-10% change) linmin: converged after 6 iterations. iteration 31: trace = 5.419797732973865 (2.8762e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963334 (1.94292e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.12301e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.2851130962371826 Fixing h-field (band 1) phase by 1 + 5.39669e-16i; max ampl. = 1.39153 Fixing h-field (band 2) phase by -1 + 5.22471e-13i; max ampl. = 3.54504 Fixing h-field (band 3) phase by -1 + -8.99089e-14i; max ampl. = 3.95334 Fixing h-field (band 4) phase by -9.56185e-13 + -1i; max ampl. = 4.50492 Fixing h-field (band 5) phase by -5.16826e-15 + -1i; max ampl. = 4.84663 Fixing h-field (band 6) phase by 5.05322e-16 + -1i; max ampl. = 1.79067 Fixing h-field (band 7) phase by 3.21138e-13 + 1i; max ampl. = 3.04657 Fixing h-field (band 8) phase by -1 + -2.33252e-13i; max ampl. = 4.1605 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585095496 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181125 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587886 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571534 (0.0200646% change) linmin: converged after 4 iterations. iteration 5: trace = 5.241214212212732 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880007 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573513 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597553 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765944 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877311 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.240854364699086 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786501 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321846 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364838 (2.66312e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.240853950743166 (6.91046e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.240853949555023 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179417 (7.16687e-09% change) linmin: converged after 12 iterations. iteration 18: trace = 5.240853949031692 (2.81873e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976922 (1.04505e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.24085394893987 (7.06987e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883503 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833737 (9.49569e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802552 (5.9505e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.240853948778209 (4.64472e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757244 (4.00039e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.240853948742304 (2.85069e-10% change) linmin: converged after 7 iterations. iteration 27: trace = 5.240853948735856 (1.23037e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733919 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.24298882484436035 Fixing h-field (band 1) phase by 1 + 3.15171e-16i; max ampl. = 1.40192 Fixing h-field (band 2) phase by -1 + 6.61157e-13i; max ampl. = 3.73151 Fixing h-field (band 3) phase by -1 + 7.85032e-13i; max ampl. = 3.50756 Fixing h-field (band 4) phase by 4.19293e-12 + -1i; max ampl. = 4.25492 Fixing h-field (band 5) phase by 8.05484e-15 + 1i; max ampl. = 4.10702 Fixing h-field (band 6) phase by 1.3935e-15 + -1i; max ampl. = 3.1563 Fixing h-field (band 7) phase by -4.50823e-12 + -1i; max ampl. = 3.26912 Fixing h-field (band 8) phase by -1 + 4.95118e-12i; max ampl. = 4.78292 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912987 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052881 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866193 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833588 (0.00623852% change) linmin: converged after 12 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466311 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105121044 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978231 (5.0488e-05% change) linmin: converged after 27 iterations. iteration 10: trace = 5.096544550143696 (1.92647e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.096544340283565 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838678 (9.70165e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659943 (2.58582e-07% change) linmin: converged after 14 iterations. iteration 14: trace = 5.096544274637549 (5.93028e-08% change) linmin: converged after 29 iterations. iteration 15: trace = 5.096544273956437 (1.33642e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766979 (3.71739e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707475 (1.16753e-09% change) linmin: converged after 9 iterations. iteration 18: trace = 5.096544273672398 (6.88247e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621836 (9.92088e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.096544273547278 (1.46292e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463887 (1.63623e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426177 (7.39919e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.096544273414489 (2.29323e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.096544273410617 (7.5982e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.2097301483154297 Fixing h-field (band 1) phase by 1 + -6.74342e-13i; max ampl. = 4.05119 Fixing h-field (band 2) phase by 1 + -3.28168e-16i; max ampl. = 1.42991 Fixing h-field (band 3) phase by 1 + -2.11542e-12i; max ampl. = 2.78416 Fixing h-field (band 4) phase by 4.94621e-15 + -1i; max ampl. = 2.53227 Fixing h-field (band 5) phase by 2.36138e-11 + -1i; max ampl. = 3.9265 Fixing h-field (band 6) phase by 2.53743e-14 + -1i; max ampl. = 4.52548 Fixing h-field (band 7) phase by -2.01697e-11 + 1i; max ampl. = 3.4739 Fixing h-field (band 8) phase by -1 + -6.34334e-12i; max ampl. = 4.9086 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945879683 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306957366 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599250775 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313186766 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294299239 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.006443503179093 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503862977 (7.98834e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.006437606344909 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310637 (1.27243e-05% change) linmin: converged after 11 iterations. iteration 10: trace = 5.006436638672469 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138768 (1.98811e-06% change) linmin: converged after 9 iterations. iteration 12: trace = 5.006436508297344 (6.16035e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318621 (1.79344e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.00643649721472 (4.20239e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812775 (8.02857e-09% change) linmin: converged after 8 iterations. iteration 16: trace = 5.006436496713429 (1.98435e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.006436496673623 (7.95104e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.006436496632906 (8.13288e-10% change) large trace change predicted (2.20199e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.006436496522669 (2.20191e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24912e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.006436496357241 (1.0552e-09% change) linmin: converged after 5 iterations. iteration 22: trace = 5.006436496344438 (2.55715e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341386 (6.09749e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.20073962211608887 Fixing h-field (band 1) phase by 1 + 6.71363e-16i; max ampl. = 4.46619 Fixing h-field (band 2) phase by 1 + 4.45207e-12i; max ampl. = 1.51506 Fixing h-field (band 3) phase by 1 + -1.84948e-15i; max ampl. = 1.66014 Fixing h-field (band 4) phase by 1 + 2.16047e-11i; max ampl. = 1.64641 Fixing h-field (band 5) phase by -1.5305e-13 + 1i; max ampl. = 3.54599 Fixing h-field (band 6) phase by -3.22948e-12 + -1i; max ampl. = 4.96988 Fixing h-field (band 7) phase by -7.16666e-15 + 1i; max ampl. = 3.72139 Fixing h-field (band 8) phase by 1 + 1.70987e-14i; max ampl. = 4.85167 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750386378 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.97679035011423 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668860007 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201927151 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205360481 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319073 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125266 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449044 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964124 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211321 (9.39569e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705318 (3.92003e-07% change) linmin: converged after 10 iterations. iteration 12: trace = 4.975984271802612 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495475 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.97598426616257 (2.67868e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.975984265893691 (5.40352e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.975984265819593 (1.48913e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774337 (9.09475e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.975984265706848 (1.3563e-09% change) large trace change predicted (3.4883e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 8 iterations. iteration 20: trace = 4.975984265426869 (2.13833e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 4.97598426539333 (6.74025e-10% change) linmin: converged after 7 iterations. iteration 22: trace = 4.975984265384501 (1.7744e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.97598426538178 (5.46724e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.20032048225402832 Fixing h-field (band 1) phase by 1 + -2.75586e-16i; max ampl. = 4.70977 Fixing h-field (band 2) phase by 1 + 3.30891e-13i; max ampl. = 1.38038 Fixing h-field (band 3) phase by -3.3002e-13 + 1i; max ampl. = 1.85505 Fixing h-field (band 4) phase by -1 + -3.55289e-10i; max ampl. = 1.90199 Fixing h-field (band 5) phase by -1 + 1.63952e-14i; max ampl. = 3.83362 Fixing h-field (band 6) phase by 1.4115e-11 + -1i; max ampl. = 4.82728 Fixing h-field (band 7) phase by -2.18631e-12 + 1i; max ampl. = 5.11981 Fixing h-field (band 8) phase by 1 + -8.30938e-14i; max ampl. = 4.68981 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627275 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839769 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.03694279621296 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352511 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550615 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323866 (1.07603e-05% change) linmin: converged after 17 iterations. iteration 10: trace = 5.036378561422622 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300783 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106168 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911189 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128371 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954634 (3.44963e-09% change) linmin: converged after 12 iterations. iteration 16: trace = 5.036378479909358 (8.98975e-10% change) linmin: converged after 5 iterations. iteration 17: trace = 5.036378479898019 (2.25149e-10% change) linmin: converged after 17 iterations. iteration 18: trace = 5.036378479895267 (5.46517e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.15869402885437012 Fixing h-field (band 1) phase by 1 + 9.11698e-18i; max ampl. = 3.59873 Fixing h-field (band 2) phase by 1 + 8.10649e-17i; max ampl. = 3.10702 Fixing h-field (band 3) phase by -8.77682e-12 + -1i; max ampl. = 1.92561 Fixing h-field (band 4) phase by -9.49411e-16 + -1i; max ampl. = 1.49149 Fixing h-field (band 5) phase by -7.27366e-16 + 1i; max ampl. = 3.30734 Fixing h-field (band 6) phase by -4.92679e-12 + -1i; max ampl. = 5.21642 Fixing h-field (band 7) phase by -4.28008e-15 + 1i; max ampl. = 3.66792 Fixing h-field (band 8) phase by 1 + 9.20091e-10i; max ampl. = 4.83365 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352143693 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254298709 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459503466 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114639 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346396 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445311 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487591 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181396 (0.00049% change) linmin: converged after 9 iterations. iteration 9: trace = 5.206571394211493 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670627 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448393 (2.07473e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.20656643549155 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737297 (1.95434e-06% change) linmin: converged after 9 iterations. iteration 14: trace = 5.206566313192131 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.206566308082141 (9.81451e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.206566306507291 (3.02474e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.206566306040205 (8.97109e-09% change) linmin: converged after 19 iterations. iteration 18: trace = 5.206566305927627 (2.16224e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.206566305900045 (5.29744e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 5.206566305893732 (1.21254e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891688 (3.92694e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.1840507984161377 Fixing h-field (band 1) phase by 1 + 3.40483e-18i; max ampl. = 1.81199 Fixing h-field (band 2) phase by -1 + -2.28929e-16i; max ampl. = 4.51433 Fixing h-field (band 3) phase by 3.92174e-11 + 1i; max ampl. = 2.16532 Fixing h-field (band 4) phase by 1.07194e-14 + 1i; max ampl. = 3.56127 Fixing h-field (band 5) phase by 2.05963e-15 + 1i; max ampl. = 2.47045 Fixing h-field (band 6) phase by 3.69631e-10 + 1i; max ampl. = 5.05859 Fixing h-field (band 7) phase by 1.57269e-13 + -1i; max ampl. = 3.23411 Fixing h-field (band 8) phase by 1 + -1.37416e-09i; max ampl. = 4.7734 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756304254 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.44322381275184 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622422659 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553565 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971321 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855543 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333973 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575134 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397953 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.417145557811471 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907001 (7.59312e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.417089421745814 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729024 (7.93815e-06% change) linmin: converged after 17 iterations. iteration 16: trace = 5.417088858207657 (2.46482e-06% change) linmin: converged after 20 iterations. iteration 17: trace = 5.417088812132456 (8.50553e-07% change) linmin: converged after 5 iterations. iteration 18: trace = 5.417088788744854 (4.31737e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389774 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680195 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321128 (4.35486e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370187 (1.75545e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.417088766928394 (8.15553e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.41708876668136 (4.56028e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.417088766554598 (2.34003e-09% change) linmin: converged after 10 iterations. iteration 26: trace = 5.417088766462991 (1.69107e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423701 (7.25304e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.41708876641255 (2.0585e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409225 (6.13861e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.25153183937072754 Fixing h-field (band 1) phase by 1 + 6.04124e-17i; max ampl. = 1.2604 Fixing h-field (band 2) phase by -1 + -1.20897e-15i; max ampl. = 4.86397 Fixing h-field (band 3) phase by -3.78209e-10 + 1i; max ampl. = 2.6696 Fixing h-field (band 4) phase by 6.48983e-14 + 1i; max ampl. = 3.93612 Fixing h-field (band 5) phase by 1.63971e-10 + -1i; max ampl. = 4.6489 Fixing h-field (band 6) phase by 3.00373e-14 + -1i; max ampl. = 2.84446 Fixing h-field (band 7) phase by -1 + 8.63245e-15i; max ampl. = 3.74182 Fixing h-field (band 8) phase by -1 + 3.36223e-10i; max ampl. = 4.03853 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178969235 (1.22609% change) linmin: converged after 10 iterations. iteration 2: trace = 5.549498902389966 (0.909518% change) linmin: converged after 12 iterations. iteration 3: trace = 5.534363640730147 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903156621 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966093628 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061862922 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055222731 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882384813 (0.00297262% change) linmin: converged after 6 iterations. iteration 9: trace = 5.522649699669699 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465547 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.522446530191657 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366924309 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118101 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640462473 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167536 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549722 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291825 (1.19744e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 5.522267758808102 (3.61235e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 5.522267691563141 (1.21771e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 5.522267667644017 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937719 (1.93875e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.52226765303203 (7.07262e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434998 (4.70284e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 5.522267648929229 (2.72672e-08% change) linmin: converged after 20 iterations. iteration 25: trace = 5.52226764812226 (1.4613e-08% change) linmin: converged after 20 iterations. iteration 26: trace = 5.522267647457962 (1.20294e-08% change) linmin: converged after 21 iterations. iteration 27: trace = 5.522267646822535 (1.15066e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290368 (9.63675e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965353 (5.88555e-09% change) linmin: converged after 15 iterations. iteration 30: trace = 5.522267645803379 (2.9331e-09% change) linmin: converged after 12 iterations. iteration 31: trace = 5.522267645716783 (1.56813e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679247 (6.79708e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 5.522267645667596 (2.10984e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664737 (5.1773e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.29467225074768066 Fixing h-field (band 1) phase by 1 + -2.44308e-16i; max ampl. = 1.05606 Fixing h-field (band 2) phase by -1 + -2.31582e-15i; max ampl. = 5.06002 Fixing h-field (band 3) phase by 1.47893e-10 + 1i; max ampl. = 3.59476 Fixing h-field (band 4) phase by 1.27178e-14 + -1i; max ampl. = 4.14887 Fixing h-field (band 5) phase by -1 + 5.40091e-10i; max ampl. = 1.36944 Fixing h-field (band 6) phase by 1.74144e-13 + 1i; max ampl. = 3.24838 Fixing h-field (band 7) phase by 1.70689e-11 + -1i; max ampl. = 2.57459 Fixing h-field (band 8) phase by 1 + 1.3515e-15i; max ampl. = 4.85277 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689718 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468801803 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640944617 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172747595 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736264258 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107767777 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897148 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418432 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948986 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399469 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880777091 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664429297 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530685 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283166915 (0.00806656% change) near maximum in trace linmin: converged after 12 iterations. iteration 15: trace = 5.566399673126595 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201649087 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388851776 (0.0149469% change) linmin: converged after 9 iterations. iteration 18: trace = 5.563783784857092 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472968 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637391299 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630789636 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618235723 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244595164 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789586708158 (0.0210687% change) linmin: converged after 6 iterations. iteration 25: trace = 5.55479872112512 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114307872 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036061545 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677066659 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838333289 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970149225 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061060991 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957062201 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590524519 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526856163 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677469003 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325230759 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189118203 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717985028 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.55039074504794 (0.00264794% change) linmin: converged after 4 iterations. iteration 40: trace = 5.550253430599366 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.55012490356939 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.5500044218751 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461732274 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756767675 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477372593 (0.00177088% change) linmin: converged after 9 iterations. iteration 46: trace = 5.549597231327756 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54951543797565 (0.00147387% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430942598 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300552654 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831913748 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789641494 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393075525 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424638689 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.5490789542907 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214571433 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603580014 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441606381 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443863679 (0.000756958% change) linmin: converged after 5 iterations. iteration 59: trace = 5.548855472466351 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214437054 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940600761 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719228375 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070202024 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460652456 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158009602 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782922872 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723947812 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403415665 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919753951 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976766439 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222564813 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081097538 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373793896 (0.000391252% change) linmin: converged after 15 iterations. iteration 74: trace = 5.548148375777715 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476977 (6.67304e-05% change) linmin: converged after 4 iterations. iteration 76: trace = 5.548141864894304 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047715 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431986 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383762 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649320952 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114822 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.548119009803099 (3.47742e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.548118262534452 (1.34689e-05% change) linmin: converged after 7 iterations. iteration 84: trace = 5.548117907882083 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015862 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168688 (1.08738e-06% change) linmin: converged after 12 iterations. iteration 87: trace = 5.548117729428172 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.548117726415585 (5.42993e-08% change) linmin: converged after 17 iterations. iteration 89: trace = 5.548117725588886 (1.49005e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372829 (3.89425e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334803 (6.85378e-10% change) linmin: converged after 7 iterations. iteration 92: trace = 5.548117725327031 (1.40092e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324969 (3.71561e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6359529495239258 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 1 + -9.63564e-15i; max ampl. = 5.12967 Fixing h-field (band 3) phase by 3.05473e-12 + 1i; max ampl. = 4.27896 Fixing h-field (band 4) phase by 5.06379e-10 + 1i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 1 + 3.20908e-09i; max ampl. = 1.75894 Fixing h-field (band 6) phase by 2.84271e-11 + -1i; max ampl. = 3.7555 Fixing h-field (band 7) phase by 5.80197e-11 + -1i; max ampl. = 3.75555 Fixing h-field (band 8) phase by 1 + -5.76323e-14i; max ampl. = 4.48388 .Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44158844972254463 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160888 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117834 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069769 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757013 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502162 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855886 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660669 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650205 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421847 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594143 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052685 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556926 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160888) to band 3 (0.5931535863117834), 0.0022038709776706538% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502162), 1.773982491242937% Gap from band 7 (1.0860729323594143) to band 8 (1.0878689635052685), 0.16523267243441017% total elapsed time for run: 5.141888380050659 done /tmp/meepW1wGQn/test_get_eigenvectors-0: 5.17s /tmp/meepW1wGQn/test_get_hfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004748821258544922 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.35930538177490234 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.0288925170898438 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.22533011436462402 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20919275283813477 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.24189209938049316 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.37673139572143555 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.28484106063842773 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.24199366569519043 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.20869183540344238 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.2001354694366455 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.19950294494628906 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.16516804695129395 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.18198204040527344 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.24912333488464355 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2911109924316406 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6166510581970215 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.086724519729614 done Fixing h-field (band 8) phase by -1 + 2.64645e-07i; max ampl. = 4.48388 ./tmp/meepW1wGQn/test_get_hfield-0: 5.09s /tmp/meepW1wGQn/test_handle_cvector-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0052640438079833984 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403983 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549292 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.84352701122289 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441988 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792534 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692739 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908757 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295163921 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448073 (0.0145112% change) linmin: converged after 5 iterations. iteration 10: trace = 4.578003942463019 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765468 (0.00162274% change) linmin: converged after 8 iterations. iteration 12: trace = 4.577907037545199 (0.000494028% change) linmin: converged after 5 iterations. iteration 13: trace = 4.577897255801745 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.57789508633627 (4.739e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.57789469636567 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894636935355 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221464 (1.68503e-07% change) linmin: converged after 8 iterations. iteration 18: trace = 4.577894627568691 (3.61033e-08% change) linmin: converged after 6 iterations. iteration 19: trace = 4.577894626939197 (1.37507e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.577894626693595 (5.36495e-09% change) linmin: converged after 12 iterations. iteration 21: trace = 4.577894626612556 (1.77023e-09% change) linmin: converged after 13 iterations. iteration 22: trace = 4.577894626584484 (6.13222e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.577894626574819 (2.11107e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572808 (4.39443e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.17037630081176758 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720173 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.553362423580495 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778888997 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.54723569125933 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078174 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887486 (0.000982783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.546668812199721 (0.0001536% change) linmin: converged after 5 iterations. iteration 8: trace = 4.546667474444718 (2.94228e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 4.546667093982198 (8.36794e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.546667026314634 (1.48829e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.546667010167313 (3.55146e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.546667005947761 (9.28054e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.546667004173655 (3.90199e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.546667003528526 (1.41891e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.546667003425869 (2.25786e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.546667003411077 (3.25331e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 4.546667003406391 (1.03065e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404457 (4.25466e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.1578662395477295 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501469826 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577211217 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622181 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.45699807393535 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102497 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934249 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362191 (9.95243e-05% change) linmin: converged after 18 iterations. iteration 8: trace = 4.456771848143077 (9.67559e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.456771805503835 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201267 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345359 (4.16424e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.45677179666402 (1.52877e-08% change) linmin: converged after 12 iterations. iteration 13: trace = 4.456771796571513 (2.07566e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.456771796564526 (1.56759e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 4.456771796562705 (4.08539e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.1327369213104248 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410844 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668878 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944972 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463695 (0.00735182% change) linmin: converged after 5 iterations. iteration 5: trace = 4.364572744594431 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346524 (0.000152071% change) linmin: converged after 3 iterations. iteration 7: trace = 4.364565316740358 (1.81142e-05% change) linmin: converged after 13 iterations. iteration 8: trace = 4.36456523912619 (1.77828e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.364565234500084 (1.05992e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.364565233724117 (1.77788e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.364565233381506 (7.84984e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.36456523330673 (1.71325e-09% change) linmin: converged after 8 iterations. iteration 13: trace = 4.364565233299625 (1.62798e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.364565233298254 (3.13997e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.12424993515014648 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604866 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984186 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865018 (0.0151441% change) linmin: converged after 4 iterations. iteration 4: trace = 4.304101774804951 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722034 (0.000679937% change) linmin: converged after 4 iterations. iteration 6: trace = 4.304070117659416 (5.55767e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.304069984297114 (3.09852e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945504 (6.90153e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.304069964779023 (2.71018e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.304069964479552 (6.95785e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.304069964440697 (9.02753e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.304069964437603 (7.18951e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.11570525169372559 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238561 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.284124961328375 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492502 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.2835023031187 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024279 (0.000553453% change) linmin: converged after 7 iterations. iteration 6: trace = 4.283477154458746 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.283477077810688 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330033 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817823 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.28347706577044 (2.44517e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633828 (3.18929e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283477065618211 (3.64583e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.283477065616433 (4.15114e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.11551332473754883 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825463 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831363 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994831 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692772 (0.00782874% change) linmin: converged after 4 iterations. iteration 5: trace = 4.264488730548918 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097835 (0.000287994% change) linmin: converged after 4 iterations. iteration 7: trace = 4.264474782181725 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738403 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967127 (2.52582e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.264474631257336 (1.66443e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.264474631203496 (1.26251e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.264474631199771 (8.735e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.1071004867553711 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565429 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374738 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204027 (0.01063% change) linmin: converged after 5 iterations. iteration 4: trace = 4.228604967100097 (0.00120406% change) linmin: converged after 6 iterations. iteration 5: trace = 4.228597156343837 (0.000184713% change) linmin: converged after 14 iterations. iteration 6: trace = 4.228595847507815 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484543 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.228595653669718 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361875 (3.09285e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.228595652271401 (2.13958e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.228595652264811 (1.55829e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.228595652264469 (8.08658e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.1073760986328125 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849722 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159246 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731935 (0.00284883% change) linmin: converged after 4 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 2 iterations. iteration 5: trace = 4.196577861660908 (1.0875e-05% change) linmin: converged after 6 iterations. iteration 6: trace = 4.196577824465238 (8.86333e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 4.196577821831923 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279778 (1.3157e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.19657782123355 (1.10156e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 4.196577821229711 (9.14723e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.09030771255493164 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862474 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735219 (0.0198514% change) linmin: converged after 6 iterations. iteration 3: trace = 4.175658188677829 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 4 iterations. iteration 5: trace = 4.175651823639797 (1.24495e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.175651765087073 (1.40224e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.175651761832765 (7.79353e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361386 (1.12888e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.175651761335721 (6.1463e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 4.175651761333512 (5.28995e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.09026098251342773 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974825 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847979 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223788 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634319 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651687 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612855 (9.31579e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 4.168411689609142 (8.90648e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.08184266090393066 Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911 Fixing e-field (band 2) phase by -4.11947e-08 + -1i; max ampl. = 1.08316 Fixing e-field (band 3) phase by 1 + -4.11948e-08i; max ampl. = 0.877953 Fixing e-field (band 4) phase by 1 + -4.11947e-08i; max ampl. = 1.24657 Fixing e-field (band 5) phase by 4.11947e-08 + 1i; max ampl. = 1.10168 Fixing e-field (band 6) phase by -1 + 4.11947e-08i; max ampl. = 1.76186 Fixing e-field (band 7) phase by -1 + 4.11947e-08i; max ampl. = 1.0881 Fixing e-field (band 8) phase by -1 + 4.11948e-08i; max ampl. = 1.08096 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861229 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957315 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510748 (0.000784095% change) linmin: converged after 4 iterations. iteration 5: trace = 4.19785442937801 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525579 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380286 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.197854050415343 (4.68083e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.197854050317019 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309861 (1.70512e-10% change) linmin: converged after 7 iterations. iteration 11: trace = 4.197854050309302 (1.33083e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.09866929054260254 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338976 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011072 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299237 (0.013699% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283281438838009 (0.00210466% change) linmin: converged after 4 iterations. iteration 5: trace = 4.283267824693608 (0.000317844% change) linmin: converged after 11 iterations. iteration 6: trace = 4.283266579370459 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834246 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102649 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.28326648909319 (2.35675e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.283266489000649 (2.16053e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.283266488991161 (2.21523e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283266488990681 (1.11974e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.1071629524230957 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679059329 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164542 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426009 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814327 (0.00987906% change) linmin: converged after 4 iterations. iteration 5: trace = 4.410114427040233 (0.00189335% change) linmin: converged after 6 iterations. iteration 6: trace = 4.410103889016638 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711945 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698955 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309541 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815384 (5.65555e-08% change) linmin: converged after 18 iterations. iteration 11: trace = 4.410102274561978 (5.74604e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.410102274546347 (3.54437e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.410102274545233 (2.52551e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.11596441268920898 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101224 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258207 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323309 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319918 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.53459599155331 (0.0146622% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534531477384967 (0.00142272% change) linmin: converged after 5 iterations. iteration 7: trace = 4.534520999244496 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738526 (5.16374e-05% change) linmin: converged after 6 iterations. iteration 9: trace = 4.534517831347476 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.534517685393303 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423108 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208907 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618736 (7.91743e-08% change) linmin: converged after 20 iterations. iteration 14: trace = 4.534517622906266 (1.57121e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.534517622781562 (2.7501e-09% change) linmin: converged after 11 iterations. iteration 16: trace = 4.534517622760762 (4.58709e-10% change) linmin: converged after 5 iterations. iteration 17: trace = 4.534517622757205 (7.84462e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.14945340156555176 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082273779 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330492 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234657 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379688 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189917 (0.00557828% change) linmin: converged after 6 iterations. iteration 6: trace = 4.57791517310207 (0.000900408% change) linmin: converged after 4 iterations. iteration 7: trace = 4.577900193794607 (0.000327209% change) linmin: converged after 3 iterations. iteration 8: trace = 4.57789572495598 (9.76177e-05% change) linmin: converged after 6 iterations. iteration 9: trace = 4.577894738564552 (2.15468e-05% change) linmin: converged after 8 iterations. iteration 10: trace = 4.577894647524371 (1.98869e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577894631981889 (3.39512e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.577894627560068 (9.65907e-08% change) linmin: converged after 18 iterations. iteration 13: trace = 4.57789462668443 (1.91275e-08% change) linmin: converged after 11 iterations. iteration 14: trace = 4.577894626586346 (2.14256e-09% change) linmin: converged after 2 iterations. iteration 15: trace = 4.577894626573653 (2.77266e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 4.577894626572483 (2.55517e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.11384439468383789 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471573 at Vector3<0.0, 0.5, 0.0> to 0.560518142316283 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027671 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797747 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585146 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443699 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327573 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537568 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443264 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903452 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739193 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664871 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8992499095547029 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156901 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623627) to band 2 (0.4453310808471573), 47.39883483854642% Gap from band 3 (0.5605607947797747) to band 4 (0.5932960873585146), 5.674064623695081% Gap from band 4 (0.7907195974443699) to band 5 (0.7908320763327573), 0.01422386511327371% Gap from band 5 (0.8374511167537568) to band 6 (0.8375948528443264), 0.017162047272541583% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739193), 0.22277591092796523% total elapsed time for run: 1.8905837535858154 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Found complex vector dataset... Input data is rank 2, size 32x32x1. Rotating vectors by matrix [ 0.8660254038, 0.5, -0 0.5, -0.8660254038, -0 -0, -0, 1 ] Output data 96x83x1. real part range: 0 .. 0 imag part range: 0 .. 0 real part range: 0 .. 0 imag part range: 0 .. 0 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 ./tmp/meepW1wGQn/test_handle_cvector-0: 1.98s /tmp/meepW1wGQn/test_hermitian_eps-0 ======================== Initializing eigensolver data Computing 10 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 10 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.11, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Initializing mu function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 10 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.16666666666666666, 0.0, 0.0> Vector3<0.3333333333333333, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.16666666666666666, 0.0> Vector3<0.5, 0.3333333333333333, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Vector3<0.16666666666666669, 0.16666666666666669, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0054302215576171875 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10 Solving for bands 2 to 10... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 46.67690825536745 (188.044% change) linmin: converged after 7 iterations. iteration 2: trace = 20.87201589192944 (76.4036% change) linmin: converged after 10 iterations. iteration 3: trace = 17.90281367460637 (15.3151% change) linmin: converged after 5 iterations. iteration 4: trace = 16.44745357215419 (8.47365% change) linmin: converged after 7 iterations. iteration 5: trace = 15.57503624271262 (5.44878% change) linmin: converged after 5 iterations. iteration 6: trace = 14.93685929648176 (4.18314% change) linmin: converged after 6 iterations. iteration 7: trace = 14.66427203218844 (1.84174% change) large trace change predicted (3.90566%) linmin: converged after 5 iterations. iteration 8: trace = 14.03803966207925 (4.36364% change) linmin: converged after 5 iterations. iteration 9: trace = 13.72475702456634 (2.25685% change) linmin: converged after 6 iterations. iteration 10: trace = 13.44496718779809 (2.05957% change) linmin: converged after 10 iterations. iteration 11: trace = 13.0870945850293 (2.69766% change) linmin: converged after 7 iterations. iteration 12: trace = 12.85444590961838 (1.79364% change) linmin: converged after 5 iterations. iteration 13: trace = 12.5565779477162 (2.3444% change) linmin: converged after 5 iterations. iteration 14: trace = 12.19678332830601 (2.90704% change) linmin: converged after 5 iterations. iteration 15: trace = 11.81712733253664 (3.16197% change) linmin: converged after 6 iterations. iteration 16: trace = 11.41216610381604 (3.48664% change) linmin: converged after 6 iterations. iteration 17: trace = 10.90973436741903 (4.50169% change) linmin: converged after 11 iterations. iteration 18: trace = 10.44959830956605 (4.30852% change) linmin: converged after 7 iterations. iteration 19: trace = 9.946119435094831 (4.9371% change) linmin: converged after 7 iterations. iteration 20: trace = 9.604108769233672 (3.49879% change) linmin: converged after 7 iterations. iteration 21: trace = 9.066211094758581 (5.76206% change) linmin: converged after 7 iterations. iteration 22: trace = 8.754783504836348 (3.49506% change) linmin: converged after 7 iterations. iteration 23: trace = 8.366907710310297 (4.53081% change) linmin: converged after 7 iterations. iteration 24: trace = 8.082023218737003 (3.46387% change) linmin: converged after 6 iterations. iteration 25: trace = 7.760859468869348 (4.05436% change) linmin: converged after 7 iterations. iteration 26: trace = 7.505494948966422 (3.34546% change) linmin: converged after 6 iterations. iteration 27: trace = 7.127998957757032 (5.15934% change) linmin: converged after 6 iterations. iteration 28: trace = 6.950727417572949 (2.51829% change) linmin: converged after 8 iterations. iteration 29: trace = 6.788207316877465 (2.36583% change) linmin: converged after 7 iterations. iteration 30: trace = 6.663378852363527 (1.85597% change) linmin: converged after 7 iterations. iteration 31: trace = 6.387397258396012 (4.22935% change) linmin: converged after 6 iterations. iteration 32: trace = 6.077629827720163 (4.97018% change) linmin: converged after 7 iterations. iteration 33: trace = 5.845265272323163 (3.89779% change) linmin: converged after 6 iterations. iteration 34: trace = 5.67618200179944 (2.9351% change) linmin: converged after 5 iterations. iteration 35: trace = 5.533824057156252 (2.53984% change) linmin: converged after 5 iterations. iteration 36: trace = 5.376188032824694 (2.88975% change) linmin: converged after 5 iterations. iteration 37: trace = 5.264316055369133 (2.10276% change) linmin: converged after 6 iterations. iteration 38: trace = 5.138003248115037 (2.42855% change) linmin: converged after 5 iterations. iteration 39: trace = 5.05610929387851 (1.60669% change) linmin: converged after 5 iterations. iteration 40: trace = 4.966406438474501 (1.79003% change) linmin: converged after 7 iterations. iteration 41: trace = 4.865793933452744 (2.04659% change) linmin: converged after 7 iterations. iteration 42: trace = 4.755591719428449 (2.29078% change) linmin: converged after 8 iterations. iteration 43: trace = 4.669631137704233 (1.82405% change) linmin: converged after 6 iterations. iteration 44: trace = 4.618920016068352 (1.09191% change) linmin: converged after 4 iterations. iteration 45: trace = 4.558826518907479 (1.30955% change) linmin: converged after 8 iterations. iteration 46: trace = 4.516268727460246 (0.937903% change) linmin: converged after 5 iterations. iteration 47: trace = 4.466856012672325 (1.10012% change) linmin: converged after 7 iterations. iteration 48: trace = 4.40217262395908 (1.45864% change) linmin: converged after 7 iterations. iteration 49: trace = 4.34889407671691 (1.21765% change) linmin: converged after 5 iterations. iteration 50: trace = 4.277264345118203 (1.66076% change) linmin: converged after 7 iterations. iteration 51: trace = 4.218023325912668 (1.39468% change) linmin: converged after 5 iterations. iteration 52: trace = 4.155509132428083 (1.49314% change) linmin: converged after 8 iterations. iteration 53: trace = 4.094397606415188 (1.48151% change) linmin: converged after 7 iterations. iteration 54: trace = 4.000042571177522 (2.33135% change) linmin: converged after 9 iterations. iteration 55: trace = 3.922502087244188 (1.95746% change) linmin: converged after 5 iterations. iteration 56: trace = 3.850087925667087 (1.86332% change) linmin: converged after 6 iterations. iteration 57: trace = 3.791821331588023 (1.52492% change) linmin: converged after 7 iterations. iteration 58: trace = 3.753050310166165 (1.02775% change) linmin: converged after 7 iterations. iteration 59: trace = 3.719648323474696 (0.893974% change) linmin: converged after 4 iterations. iteration 60: trace = 3.691348726416686 (0.763719% change) linmin: converged after 6 iterations. iteration 61: trace = 3.66551719083823 (0.702243% change) linmin: converged after 5 iterations. iteration 62: trace = 3.642774420348206 (0.622383% change) linmin: converged after 6 iterations. iteration 63: trace = 3.621631769434182 (0.582089% change) linmin: converged after 4 iterations. iteration 64: trace = 3.604353904405006 (0.478215% change) linmin: converged after 6 iterations. iteration 65: trace = 3.588974336509893 (0.427606% change) linmin: converged after 5 iterations. iteration 66: trace = 3.575630431596 (0.372495% change) linmin: converged after 7 iterations. iteration 67: trace = 3.563561748940922 (0.338097% change) linmin: converged after 5 iterations. iteration 68: trace = 3.551359535903713 (0.343003% change) linmin: converged after 7 iterations. iteration 69: trace = 3.53957578008217 (0.332361% change) resetting CG direction... large trace change predicted (2.94872%) linmin: converged after 5 iterations. iteration 70: trace = 3.431402395272261 (3.10354% change) linmin: converged after 4 iterations. iteration 71: trace = 3.364606149898984 (1.96575% change) linmin: converged after 5 iterations. iteration 72: trace = 3.333178544405381 (0.938448% change) linmin: converged after 4 iterations. iteration 73: trace = 3.327511026700706 (0.170178% change) large trace change predicted (0.554831%) linmin: converged after 5 iterations. iteration 74: trace = 3.308395672140622 (0.576119% change) linmin: converged after 6 iterations. iteration 75: trace = 3.303101756260417 (0.160143% change) linmin: converged after 4 iterations. iteration 76: trace = 3.29550004772279 (0.230404% change) linmin: converged after 4 iterations. iteration 77: trace = 3.288073179379876 (0.225618% change) linmin: converged after 7 iterations. iteration 78: trace = 3.281432388777604 (0.20217% change) linmin: converged after 4 iterations. iteration 79: trace = 3.268340709054899 (0.39976% change) linmin: converged after 5 iterations. iteration 80: trace = 3.26333673663458 (0.153222% change) large trace change predicted (0.729743%) linmin: converged after 4 iterations. iteration 81: trace = 3.239916567595945 (0.72026% change) linmin: converged after 4 iterations. iteration 82: trace = 3.220325082057117 (0.606525% change) linmin: converged after 6 iterations. iteration 83: trace = 3.198541102771157 (0.678749% change) linmin: converged after 6 iterations. iteration 84: trace = 3.177521182142836 (0.659339% change) linmin: converged after 4 iterations. iteration 85: trace = 3.158689116940338 (0.594427% change) linmin: converged after 6 iterations. iteration 86: trace = 3.124351381334587 (1.09303% change) linmin: converged after 5 iterations. iteration 87: trace = 3.115937950210354 (0.269649% change) large trace change predicted (0.80553%) linmin: converged after 4 iterations. iteration 88: trace = 3.091192293097031 (0.79733% change) linmin: converged after 4 iterations. iteration 89: trace = 3.081044145265023 (0.328832% change) linmin: converged after 5 iterations. iteration 90: trace = 3.068577889028101 (0.405432% change) linmin: converged after 4 iterations. iteration 91: trace = 3.058936333279286 (0.314697% change) linmin: converged after 6 iterations. iteration 92: trace = 3.051808453970784 (0.23329% change) linmin: converged after 5 iterations. iteration 93: trace = 3.039400997789586 (0.407389% change) linmin: converged after 4 iterations. iteration 94: trace = 3.036435871689307 (0.0976039% change) large trace change predicted (0.289201%) linmin: converged after 4 iterations. iteration 95: trace = 3.027689371528942 (0.288467% change) linmin: converged after 4 iterations. iteration 96: trace = 3.025436622667182 (0.0744326% change) linmin: converged after 5 iterations. iteration 97: trace = 3.022123324146861 (0.109575% change) linmin: converged after 9 iterations. iteration 98: trace = 3.019557930842848 (0.0849232% change) linmin: converged after 5 iterations. iteration 99: trace = 3.017617421876532 (0.0642853% change) large trace change predicted (0.199198%) linmin: converged after 6 iterations. iteration 100: trace = 3.011703313118151 (0.196178% change) linmin: converged after 4 iterations. iteration 101: trace = 3.008822328754418 (0.0957054% change) large trace change predicted (0.4945%) linmin: converged after 5 iterations. iteration 102: trace = 2.993104100634382 (0.523773% change) large trace change predicted (2.76765%) linmin: converged after 11 iterations. iteration 103: trace = 2.971606620731379 (0.720822% change) linmin: converged after 7 iterations. iteration 104: trace = 2.96642442169631 (0.174543% change) linmin: converged after 8 iterations. iteration 105: trace = 2.962575125325868 (0.129846% change) linmin: converged after 4 iterations. iteration 106: trace = 2.959661574544383 (0.0983936% change) linmin: converged after 4 iterations. iteration 107: trace = 2.957612052064615 (0.0692725% change) linmin: converged after 4 iterations. iteration 108: trace = 2.95602601989107 (0.0536398% change) linmin: converged after 4 iterations. iteration 109: trace = 2.954444330278801 (0.0535216% change) linmin: converged after 4 iterations. iteration 110: trace = 2.95264245000709 (0.0610074% change) linmin: converged after 5 iterations. iteration 111: trace = 2.950798088358868 (0.0624843% change) linmin: converged after 6 iterations. iteration 112: trace = 2.949160088224681 (0.0555258% change) linmin: converged after 5 iterations. iteration 113: trace = 2.947678114503517 (0.0502633% change) linmin: converged after 5 iterations. iteration 114: trace = 2.946171511182651 (0.0511246% change) linmin: converged after 5 iterations. iteration 115: trace = 2.944663197078818 (0.0512088% change) linmin: converged after 4 iterations. iteration 116: trace = 2.943384574019952 (0.0434311% change) linmin: converged after 5 iterations. iteration 117: trace = 2.942360599870009 (0.0347951% change) linmin: converged after 6 iterations. iteration 118: trace = 2.941369838459221 (0.033678% change) linmin: converged after 7 iterations. iteration 119: trace = 2.940244186795326 (0.038277% change) linmin: converged after 10 iterations. iteration 120: trace = 2.939083302523047 (0.0394904% change) linmin: converged after 5 iterations. iteration 121: trace = 2.938046662233718 (0.0352771% change) linmin: converged after 10 iterations. iteration 122: trace = 2.937027195542841 (0.0347048% change) linmin: converged after 4 iterations. iteration 123: trace = 2.935782206517655 (0.0423984% change) linmin: converged after 4 iterations. iteration 124: trace = 2.934263578660397 (0.0517416% change) linmin: converged after 5 iterations. iteration 125: trace = 2.932750625725674 (0.0515749% change) linmin: converged after 4 iterations. iteration 126: trace = 2.931390162054363 (0.0463994% change) linmin: converged after 4 iterations. iteration 127: trace = 2.930042912658435 (0.04597% change) linmin: converged after 7 iterations. iteration 128: trace = 2.928601863020729 (0.049194% change) linmin: converged after 6 iterations. iteration 129: trace = 2.927183403410486 (0.0484464% change) linmin: converged after 6 iterations. iteration 130: trace = 2.925923270770186 (0.0430586% change) linmin: converged after 5 iterations. iteration 131: trace = 2.924735113584033 (0.0406162% change) linmin: converged after 4 iterations. iteration 132: trace = 2.923383774953448 (0.0462145% change) linmin: converged after 4 iterations. iteration 133: trace = 2.921690893524566 (0.0579251% change) linmin: converged after 4 iterations. iteration 134: trace = 2.919763648639912 (0.0659851% change) linmin: converged after 6 iterations. iteration 135: trace = 2.917892517524158 (0.0641056% change) linmin: converged after 4 iterations. iteration 136: trace = 2.916175599430953 (0.0588583% change) linmin: converged after 4 iterations. iteration 137: trace = 2.914503775827382 (0.0573458% change) linmin: converged after 4 iterations. iteration 138: trace = 2.912771764221962 (0.059445% change) linmin: converged after 4 iterations. iteration 139: trace = 2.911006785615569 (0.0606128% change) resetting CG direction... large trace change predicted (0.794039%) linmin: converged after 4 iterations. iteration 140: trace = 2.888433504045591 (0.778464% change) large trace change predicted (2.41131%) linmin: converged after 6 iterations. iteration 141: trace = 2.824379816432234 (2.24246% change) linmin: converged after 6 iterations. iteration 142: trace = 2.788310128847086 (1.28529% change) linmin: converged after 4 iterations. iteration 143: trace = 2.760109736159523 (1.01652% change) linmin: converged after 4 iterations. iteration 144: trace = 2.747299669855088 (0.465194% change) linmin: converged after 4 iterations. iteration 145: trace = 2.742804985579411 (0.163738% change) linmin: converged after 4 iterations. iteration 146: trace = 2.736557973776877 (0.22802% change) linmin: converged after 9 iterations. iteration 147: trace = 2.734948980419224 (0.0588135% change) linmin: converged after 5 iterations. iteration 148: trace = 2.732080728036701 (0.104929% change) linmin: converged after 4 iterations. iteration 149: trace = 2.731338966345724 (0.0271538% change) large trace change predicted (0.0665178%) linmin: converged after 6 iterations. iteration 150: trace = 2.729519607348856 (0.0666327% change) linmin: converged after 7 iterations. iteration 151: trace = 2.728912502932141 (0.0222446% change) linmin: converged after 8 iterations. iteration 152: trace = 2.727937259425727 (0.0357438% change) linmin: converged after 5 iterations. iteration 153: trace = 2.727647854811649 (0.0106095% change) large trace change predicted (0.0314575%) linmin: converged after 6 iterations. iteration 154: trace = 2.726790768429805 (0.0314271% change) linmin: converged after 4 iterations. iteration 155: trace = 2.726412955536385 (0.0138565% change) large trace change predicted (0.074762%) linmin: converged after 5 iterations. iteration 156: trace = 2.724393374077776 (0.0741021% change) linmin: converged after 4 iterations. iteration 157: trace = 2.723686769769567 (0.0259396% change) linmin: converged after 4 iterations. iteration 158: trace = 2.722562962194845 (0.041269% change) linmin: converged after 7 iterations. iteration 159: trace = 2.721740022672453 (0.0302312% change) linmin: converged after 7 iterations. iteration 160: trace = 2.720173123138083 (0.0575863% change) linmin: converged after 4 iterations. iteration 161: trace = 2.719123587168586 (0.0385909% change) large trace change predicted (0.105418%) linmin: converged after 4 iterations. iteration 162: trace = 2.716261193230268 (0.105324% change) linmin: converged after 7 iterations. iteration 163: trace = 2.715295355219225 (0.0355639% change) large trace change predicted (0.13941%) linmin: converged after 5 iterations. iteration 164: trace = 2.711487025015623 (0.140353% change) linmin: converged after 5 iterations. iteration 165: trace = 2.710551875037194 (0.0344944% change) large trace change predicted (0.0883755%) linmin: converged after 4 iterations. iteration 166: trace = 2.70813706783651 (0.0891288% change) linmin: converged after 7 iterations. iteration 167: trace = 2.707018217715654 (0.0413229% change) linmin: converged after 5 iterations. iteration 168: trace = 2.705084656141528 (0.0714532% change) linmin: converged after 7 iterations. iteration 169: trace = 2.704249765355361 (0.0308685% change) linmin: converged after 6 iterations. iteration 170: trace = 2.702866848745108 (0.0511517% change) linmin: converged after 5 iterations. iteration 171: trace = 2.702314592547721 (0.0204343% change) large trace change predicted (0.0432114%) linmin: converged after 4 iterations. iteration 172: trace = 2.701147994893053 (0.0431796% change) linmin: converged after 4 iterations. iteration 173: trace = 2.700717059042893 (0.0159551% change) linmin: converged after 5 iterations. iteration 174: trace = 2.699924209804839 (0.0293613% change) linmin: converged after 5 iterations. iteration 175: trace = 2.699503535020733 (0.0155822% change) linmin: converged after 7 iterations. iteration 176: trace = 2.698893506492227 (0.0226004% change) linmin: converged after 4 iterations. iteration 177: trace = 2.698451092502412 (0.0163938% change) linmin: converged after 7 iterations. iteration 178: trace = 2.69799336300568 (0.0169641% change) linmin: converged after 4 iterations. iteration 179: trace = 2.697464079812185 (0.0196196% change) linmin: converged after 6 iterations. iteration 180: trace = 2.696664586468166 (0.0296431% change) linmin: converged after 8 iterations. iteration 181: trace = 2.696202056444426 (0.0171534% change) large trace change predicted (0.0347758%) linmin: converged after 4 iterations. iteration 182: trace = 2.695263512379138 (0.0348159% change) linmin: converged after 6 iterations. iteration 183: trace = 2.694436294722702 (0.0306962% change) large trace change predicted (0.0625964%) linmin: converged after 7 iterations. iteration 184: trace = 2.692744097343918 (0.0628231% change) linmin: converged after 13 iterations. iteration 185: trace = 2.690727440071805 (0.0749203% change) linmin: converged after 6 iterations. iteration 186: trace = 2.687548283095722 (0.118222% change) linmin: converged after 8 iterations. iteration 187: trace = 2.68576941819809 (0.066211% change) large trace change predicted (0.272437%) linmin: converged after 7 iterations. iteration 188: trace = 2.678451696417218 (0.272834% change) linmin: converged after 6 iterations. iteration 189: trace = 2.675858835277514 (0.0968514% change) large trace change predicted (0.340042%) linmin: converged after 5 iterations. iteration 190: trace = 2.666710958509976 (0.342452% change) linmin: converged after 5 iterations. iteration 191: trace = 2.662914651631287 (0.142461% change) linmin: converged after 5 iterations. iteration 192: trace = 2.657070093438 (0.219721% change) linmin: converged after 4 iterations. iteration 193: trace = 2.653476814542365 (0.135326% change) linmin: converged after 4 iterations. iteration 194: trace = 2.648498710798082 (0.187783% change) linmin: converged after 8 iterations. iteration 195: trace = 2.645314350781637 (0.120305% change) linmin: converged after 4 iterations. iteration 196: trace = 2.643035933542651 (0.0861674% change) linmin: converged after 5 iterations. iteration 197: trace = 2.639076831457311 (0.149906% change) linmin: converged after 7 iterations. iteration 198: trace = 2.637978522930887 (0.0416258% change) large trace change predicted (0.120135%) linmin: converged after 4 iterations. iteration 199: trace = 2.63478685873899 (0.121062% change) linmin: converged after 7 iterations. iteration 200: trace = 2.633992461874986 (0.0301549% change) large trace change predicted (0.0844417%) linmin: converged after 3 iterations. iteration 201: trace = 2.63174997476697 (0.0851727% change) linmin: converged after 4 iterations. iteration 202: trace = 2.630646258722177 (0.0419473% change) large trace change predicted (0.0968467%) linmin: converged after 4 iterations. iteration 203: trace = 2.628078584740835 (0.0976539% change) linmin: converged after 4 iterations. iteration 204: trace = 2.626785727355683 (0.0492061% change) large trace change predicted (0.142347%) linmin: converged after 3 iterations. iteration 205: trace = 2.622994483033955 (0.144434% change) linmin: converged after 5 iterations. iteration 206: trace = 2.621383552653022 (0.0614346% change) large trace change predicted (0.232179%) linmin: converged after 4 iterations. iteration 207: trace = 2.615159943777486 (0.237699% change) linmin: converged after 3 iterations. iteration 208: trace = 2.612612412906249 (0.0974614% change) large trace change predicted (0.272894%) linmin: converged after 4 iterations. iteration 209: trace = 2.605313448343043 (0.279765% change) resetting CG direction... linmin: converged after 7 iterations. iteration 210: trace = 2.602507298579829 (0.107767% change) linmin: converged after 4 iterations. iteration 211: trace = 2.598215027429446 (0.165064% change) linmin: converged after 4 iterations. iteration 212: trace = 2.595464178367585 (0.105931% change) linmin: converged after 4 iterations. iteration 213: trace = 2.59372405628453 (0.0670672% change) large trace change predicted (0.153157%) linmin: converged after 8 iterations. iteration 214: trace = 2.589753092630292 (0.153216% change) linmin: converged after 8 iterations. iteration 215: trace = 2.588716102592499 (0.0400501% change) large trace change predicted (0.210789%) linmin: converged after 6 iterations. iteration 216: trace = 2.583254777067213 (0.211189% change) linmin: converged after 7 iterations. iteration 217: trace = 2.581724039024643 (0.0592737% change) large trace change predicted (0.133065%) linmin: converged after 4 iterations. iteration 218: trace = 2.57828576300968 (0.133266% change) linmin: converged after 5 iterations. iteration 219: trace = 2.575845388197883 (0.0946959% change) linmin: converged after 4 iterations. iteration 220: trace = 2.572960221238704 (0.112071% change) linmin: converged after 3 iterations. iteration 221: trace = 2.568242101439044 (0.183541% change) linmin: converged after 6 iterations. iteration 222: trace = 2.565740269793468 (0.0974616% change) large trace change predicted (0.281297%) linmin: converged after 3 iterations. iteration 223: trace = 2.558471518686423 (0.283702% change) linmin: converged after 4 iterations. iteration 224: trace = 2.555775622212398 (0.105427% change) large trace change predicted (0.395485%) linmin: converged after 4 iterations. iteration 225: trace = 2.545577481876522 (0.399821% change) linmin: converged after 4 iterations. iteration 226: trace = 2.542053491985389 (0.138532% change) large trace change predicted (0.362726%) linmin: converged after 3 iterations. iteration 227: trace = 2.532752854236762 (0.366542% change) linmin: converged after 4 iterations. iteration 228: trace = 2.528808637004302 (0.15585% change) large trace change predicted (0.331112%) linmin: converged after 3 iterations. iteration 229: trace = 2.520364886937542 (0.334461% change) linmin: converged after 7 iterations. iteration 230: trace = 2.517537783532406 (0.112233% change) large trace change predicted (0.25204%) linmin: converged after 4 iterations. iteration 231: trace = 2.511145568127349 (0.25423% change) linmin: converged after 4 iterations. iteration 232: trace = 2.509761398858396 (0.0551362% change) large trace change predicted (0.133889%) linmin: converged after 3 iterations. iteration 233: trace = 2.506389172143793 (0.134455% change) linmin: converged after 5 iterations. iteration 234: trace = 2.505479113710711 (0.0363161% change) large trace change predicted (0.0862645%) linmin: converged after 6 iterations. iteration 235: trace = 2.503314786137754 (0.0864211% change) linmin: converged after 4 iterations. iteration 236: trace = 2.501190109702872 (0.0849106% change) linmin: converged after 4 iterations. iteration 237: trace = 2.499312450631119 (0.0750988% change) linmin: converged after 3 iterations. iteration 238: trace = 2.496705793355066 (0.104349% change) linmin: converged after 4 iterations. iteration 239: trace = 2.494584252024314 (0.0850097% change) linmin: converged after 3 iterations. iteration 240: trace = 2.49133230460029 (0.130445% change) linmin: converged after 7 iterations. iteration 241: trace = 2.489165138850217 (0.0870261% change) large trace change predicted (0.193851%) linmin: converged after 3 iterations. iteration 242: trace = 2.484301642690232 (0.195578% change) linmin: converged after 4 iterations. iteration 243: trace = 2.482229598114852 (0.0834403% change) large trace change predicted (0.171165%) linmin: converged after 3 iterations. iteration 244: trace = 2.477955487867392 (0.172337% change) linmin: converged after 4 iterations. iteration 245: trace = 2.473785689937148 (0.168417% change) linmin: converged after 4 iterations. iteration 246: trace = 2.470467983264292 (0.134205% change) linmin: converged after 3 iterations. iteration 247: trace = 2.464588627105288 (0.238269% change) linmin: converged after 4 iterations. iteration 248: trace = 2.463138377396798 (0.0588608% change) large trace change predicted (0.149223%) linmin: converged after 3 iterations. iteration 249: trace = 2.459450441399524 (0.149837% change) linmin: converged after 3 iterations. iteration 250: trace = 2.456421142066975 (0.123246% change) linmin: converged after 4 iterations. iteration 251: trace = 2.454269855233627 (0.0876165% change) linmin: converged after 3 iterations. iteration 252: trace = 2.450366059292865 (0.159188% change) linmin: converged after 5 iterations. iteration 253: trace = 2.449448715764504 (0.037444% change) linmin: converged after 3 iterations. iteration 254: trace = 2.447938182217131 (0.0616873% change) linmin: converged after 6 iterations. iteration 255: trace = 2.447657657746388 (0.0114603% change) linmin: converged after 4 iterations. iteration 256: trace = 2.447165770311268 (0.0200983% change) linmin: converged after 5 iterations. iteration 257: trace = 2.446800489574658 (0.0149278% change) linmin: converged after 7 iterations. iteration 258: trace = 2.446533664001951 (0.0109057% change) large trace change predicted (0.0252793%) linmin: converged after 3 iterations. iteration 259: trace = 2.445915072496688 (0.0252876% change) linmin: converged after 6 iterations. iteration 260: trace = 2.445473938667487 (0.0180372% change) large trace change predicted (0.0519233%) linmin: converged after 3 iterations. iteration 261: trace = 2.44420168363238 (0.0520384% change) linmin: converged after 4 iterations. iteration 262: trace = 2.443206249836815 (0.0407346% change) large trace change predicted (0.0915924%) linmin: converged after 3 iterations. iteration 263: trace = 2.44095486932374 (0.0921911% change) linmin: converged after 4 iterations. iteration 264: trace = 2.439975262652235 (0.0401402% change) large trace change predicted (0.148794%) linmin: converged after 3 iterations. iteration 265: trace = 2.436312728256059 (0.150218% change) linmin: converged after 7 iterations. iteration 266: trace = 2.435187981617553 (0.0461766% change) large trace change predicted (0.137526%) linmin: converged after 3 iterations. iteration 267: trace = 2.431807446442958 (0.138917% change) linmin: converged after 9 iterations. iteration 268: trace = 2.430783413355666 (0.0421188% change) large trace change predicted (0.0904699%) linmin: converged after 3 iterations. iteration 269: trace = 2.428572209441064 (0.0910081% change) linmin: converged after 5 iterations. iteration 270: trace = 2.428049878761852 (0.02151% change) linmin: converged after 5 iterations. iteration 271: trace = 2.427397545514854 (0.0268702% change) linmin: converged after 5 iterations. iteration 272: trace = 2.426985687331198 (0.0169685% change) linmin: converged after 4 iterations. iteration 273: trace = 2.426639995945253 (0.0142447% change) linmin: converged after 4 iterations. iteration 274: trace = 2.426322104268134 (0.0131009% change) linmin: converged after 6 iterations. iteration 275: trace = 2.426123394752651 (0.00819008% change) linmin: converged after 3 iterations. iteration 276: trace = 2.425831241625237 (0.0120427% change) linmin: converged after 8 iterations. iteration 277: trace = 2.425660513246134 (0.00703818% change) linmin: converged after 4 iterations. iteration 278: trace = 2.425422991640243 (0.00979252% change) linmin: converged after 7 iterations. iteration 279: trace = 2.425288854639546 (0.00553061% change) resetting CG direction... linmin: converged after 5 iterations. iteration 280: trace = 2.425180427866432 (0.00447077% change) linmin: converged after 3 iterations. iteration 281: trace = 2.4250740872652 (0.00438495% change) linmin: converged after 5 iterations. iteration 282: trace = 2.424960428904504 (0.00468691% change) linmin: converged after 6 iterations. iteration 283: trace = 2.424877548599497 (0.00341786% change) large trace change predicted (0.00952699%) linmin: converged after 3 iterations. iteration 284: trace = 2.424646316154559 (0.00953629% change) linmin: converged after 5 iterations. iteration 285: trace = 2.424566286172011 (0.00330074% change) large trace change predicted (0.015576%) linmin: converged after 4 iterations. iteration 286: trace = 2.424188251494045 (0.0155931% change) linmin: converged after 4 iterations. iteration 287: trace = 2.423893296293192 (0.0121679% change) linmin: converged after 5 iterations. iteration 288: trace = 2.423637481851858 (0.0105544% change) large trace change predicted (0.0374537%) linmin: converged after 3 iterations. iteration 289: trace = 2.422728640358982 (0.0375061% change) linmin: converged after 3 iterations. iteration 290: trace = 2.422432514057275 (0.0122236% change) large trace change predicted (0.0352987%) linmin: converged after 4 iterations. iteration 291: trace = 2.421576773133696 (0.0353319% change) linmin: converged after 4 iterations. iteration 292: trace = 2.421136614885999 (0.0181782% change) linmin: converged after 7 iterations. iteration 293: trace = 2.420825799090236 (0.0128384% change) linmin: converged after 4 iterations. iteration 294: trace = 2.420487805592095 (0.0139629% change) linmin: converged after 3 iterations. iteration 295: trace = 2.420353769719568 (0.00553771% change) linmin: converged after 5 iterations. iteration 296: trace = 2.420198402732578 (0.00641939% change) linmin: converged after 3 iterations. iteration 297: trace = 2.420001455757681 (0.00813797% change) linmin: converged after 5 iterations. iteration 298: trace = 2.419953702740966 (0.00197328% change) large trace change predicted (0.00687388%) linmin: converged after 4 iterations. iteration 299: trace = 2.419787315144768 (0.00687589% change) linmin: converged after 3 iterations. iteration 300: trace = 2.419701520203276 (0.00354562% change) linmin: converged after 5 iterations. iteration 301: trace = 2.419628413799631 (0.00302134% change) linmin: converged after 7 iterations. iteration 302: trace = 2.41950785217478 (0.00498277% change) linmin: converged after 4 iterations. iteration 303: trace = 2.419390873341428 (0.00483494% change) linmin: converged after 4 iterations. iteration 304: trace = 2.419277941258065 (0.0046679% change) large trace change predicted (0.0101452%) linmin: converged after 8 iterations. iteration 305: trace = 2.41903265759851 (0.0101392% change) linmin: converged after 5 iterations. iteration 306: trace = 2.418931059841552 (0.00420002% change) large trace change predicted (0.0146971%) linmin: converged after 5 iterations. iteration 307: trace = 2.418575590085411 (0.0146964% change) linmin: converged after 6 iterations. iteration 308: trace = 2.418204681146972 (0.015337% change) linmin: converged after 4 iterations. iteration 309: trace = 2.417860236796975 (0.0142448% change) large trace change predicted (0.0291902%) linmin: converged after 3 iterations. iteration 310: trace = 2.417154770650484 (0.0291815% change) linmin: converged after 6 iterations. iteration 311: trace = 2.4168989205122 (0.0105853% change) linmin: converged after 7 iterations. iteration 312: trace = 2.41643784143817 (0.0190791% change) linmin: converged after 4 iterations. iteration 313: trace = 2.416197394372301 (0.00995097% change) linmin: converged after 5 iterations. iteration 314: trace = 2.41613023520872 (0.00277958% change) linmin: converged after 5 iterations. iteration 315: trace = 2.416036203944621 (0.00389189% change) linmin: converged after 4 iterations. iteration 316: trace = 2.415988398153523 (0.00197871% change) linmin: converged after 5 iterations. iteration 317: trace = 2.415948349542359 (0.00165766% change) large trace change predicted (0.00581534%) linmin: converged after 5 iterations. iteration 318: trace = 2.415807842515444 (0.00581598% change) linmin: converged after 5 iterations. iteration 319: trace = 2.415770745973981 (0.00153559% change) large trace change predicted (0.005727%) linmin: converged after 3 iterations. iteration 320: trace = 2.415632354830913 (0.00572882% change) linmin: converged after 4 iterations. iteration 321: trace = 2.415563519625396 (0.00284961% change) linmin: converged after 6 iterations. iteration 322: trace = 2.415467656735211 (0.00396863% change) linmin: converged after 4 iterations. iteration 323: trace = 2.415346579258353 (0.00501272% change) linmin: converged after 6 iterations. iteration 324: trace = 2.415278364748015 (0.00282425% change) large trace change predicted (0.00765333%) linmin: converged after 4 iterations. iteration 325: trace = 2.415093403283811 (0.00765827% change) linmin: converged after 5 iterations. iteration 326: trace = 2.414971475652029 (0.0050487% change) linmin: converged after 5 iterations. iteration 327: trace = 2.414906312098736 (0.00269835% change) linmin: converged after 4 iterations. iteration 328: trace = 2.414791256952205 (0.00476449% change) linmin: converged after 5 iterations. iteration 329: trace = 2.41471268711044 (0.00325374% change) linmin: converged after 5 iterations. iteration 330: trace = 2.414596963558967 (0.00479255% change) linmin: converged after 4 iterations. iteration 331: trace = 2.41443657808106 (0.00664255% change) linmin: converged after 6 iterations. iteration 332: trace = 2.414400395215213 (0.00149862% change) large trace change predicted (0.00348791%) linmin: converged after 3 iterations. iteration 333: trace = 2.414316193238906 (0.00348755% change) linmin: converged after 5 iterations. iteration 334: trace = 2.414269545105174 (0.00193217% change) linmin: converged after 3 iterations. iteration 335: trace = 2.414241340458226 (0.00116825% change) linmin: converged after 5 iterations. iteration 336: trace = 2.41421375110804 (0.00114278% change) linmin: converged after 5 iterations. iteration 337: trace = 2.414202968507721 (0.000446631% change) large trace change predicted (0.000907384%) linmin: converged after 5 iterations. iteration 338: trace = 2.414181064996559 (0.000907281% change) linmin: converged after 5 iterations. iteration 339: trace = 2.414162105520356 (0.000785341% change) linmin: converged after 3 iterations. iteration 340: trace = 2.414128526155081 (0.00139094% change) linmin: converged after 4 iterations. iteration 341: trace = 2.414085657654097 (0.00177575% change) linmin: converged after 5 iterations. iteration 342: trace = 2.414034839851737 (0.00210508% change) large trace change predicted (0.00724339%) linmin: converged after 3 iterations. iteration 343: trace = 2.413859832729793 (0.00724983% change) linmin: converged after 5 iterations. iteration 344: trace = 2.413774860439062 (0.00352025% change) large trace change predicted (0.0114308%) linmin: converged after 8 iterations. iteration 345: trace = 2.413498645566613 (0.0114439% change) linmin: converged after 4 iterations. iteration 346: trace = 2.413424510622074 (0.00307173% change) large trace change predicted (0.0102719%) linmin: converged after 3 iterations. iteration 347: trace = 2.413176286032624 (0.0102857% change) linmin: converged after 7 iterations. iteration 348: trace = 2.413128266144661 (0.00198992% change) linmin: converged after 3 iterations. iteration 349: trace = 2.413046296877155 (0.00339686% change) resetting CG direction... linmin: converged after 6 iterations. iteration 350: trace = 2.41300613199382 (0.0016645% change) linmin: converged after 4 iterations. iteration 351: trace = 2.412990779579558 (0.000636238% change) large trace change predicted (0.00208154%) linmin: converged after 7 iterations. iteration 352: trace = 2.412940551860736 (0.00208158% change) linmin: converged after 5 iterations. iteration 353: trace = 2.412921785425702 (0.000777744% change) large trace change predicted (0.00186283%) linmin: converged after 6 iterations. iteration 354: trace = 2.412876831016228 (0.00186309% change) linmin: converged after 5 iterations. iteration 355: trace = 2.412847777792618 (0.0012041% change) linmin: converged after 4 iterations. iteration 356: trace = 2.41283879048471 (0.000372478% change) linmin: converged after 6 iterations. iteration 357: trace = 2.412824218051274 (0.000603956% change) linmin: converged after 10 iterations. iteration 358: trace = 2.412808015460221 (0.000671522% change) linmin: converged after 5 iterations. iteration 359: trace = 2.412801593747732 (0.000266151% change) large trace change predicted (0.000952852%) linmin: converged after 5 iterations. iteration 360: trace = 2.412778602661735 (0.000952884% change) linmin: converged after 3 iterations. iteration 361: trace = 2.412753973796874 (0.00102077% change) linmin: converged after 5 iterations. iteration 362: trace = 2.412714578050101 (0.00163283% change) linmin: converged after 4 iterations. iteration 363: trace = 2.412648793741863 (0.00272661% change) linmin: converged after 5 iterations. iteration 364: trace = 2.412606679048798 (0.00174559% change) linmin: converged after 3 iterations. iteration 365: trace = 2.412532754667727 (0.00306413% change) linmin: converged after 3 iterations. iteration 366: trace = 2.412419647797858 (0.00468841% change) linmin: converged after 5 iterations. iteration 367: trace = 2.412392180832767 (0.00113857% change) large trace change predicted (0.00293891%) linmin: converged after 3 iterations. iteration 368: trace = 2.412321309333766 (0.00293785% change) linmin: converged after 5 iterations. iteration 369: trace = 2.412307820343314 (0.000559172% change) linmin: converged after 5 iterations. iteration 370: trace = 2.412288263597068 (0.00081071% change) linmin: converged after 5 iterations. iteration 371: trace = 2.412272618687618 (0.000648553% change) linmin: converged after 6 iterations. iteration 372: trace = 2.412266324888163 (0.000260908% change) large trace change predicted (0.000658194%) linmin: converged after 5 iterations. iteration 373: trace = 2.412250448276998 (0.000658164% change) linmin: converged after 6 iterations. iteration 374: trace = 2.412246337046938 (0.000170431% change) large trace change predicted (0.000808221%) linmin: converged after 8 iterations. iteration 375: trace = 2.412226841440769 (0.000808196% change) linmin: converged after 5 iterations. iteration 376: trace = 2.412207497175807 (0.000801929% change) linmin: converged after 4 iterations. iteration 377: trace = 2.412189095369897 (0.000762865% change) large trace change predicted (0.00178346%) linmin: converged after 5 iterations. iteration 378: trace = 2.41214608473424 (0.00178307% change) linmin: converged after 5 iterations. iteration 379: trace = 2.412112914118844 (0.00137516% change) linmin: converged after 5 iterations. iteration 380: trace = 2.412055287982362 (0.00238906% change) linmin: converged after 6 iterations. iteration 381: trace = 2.412011255508982 (0.00182553% change) linmin: converged after 5 iterations. iteration 382: trace = 2.411981569237608 (0.00123078% change) large trace change predicted (0.00417681%) linmin: converged after 5 iterations. iteration 383: trace = 2.411880787039613 (0.00417849% change) linmin: converged after 5 iterations. iteration 384: trace = 2.411845573860754 (0.00146% change) large trace change predicted (0.00517127%) linmin: converged after 5 iterations. iteration 385: trace = 2.411720784495104 (0.00517415% change) linmin: converged after 4 iterations. iteration 386: trace = 2.411558015750102 (0.0067493% change) linmin: converged after 5 iterations. iteration 387: trace = 2.411458965052397 (0.00410742% change) large trace change predicted (0.0104309%) linmin: converged after 5 iterations. iteration 388: trace = 2.411207234665359 (0.0104395% change) linmin: converged after 6 iterations. iteration 389: trace = 2.411152256718949 (0.00228013% change) large trace change predicted (0.00605439%) linmin: converged after 5 iterations. iteration 390: trace = 2.411006246732768 (0.00605579% change) linmin: converged after 5 iterations. iteration 391: trace = 2.410973249788592 (0.00136861% change) linmin: converged after 5 iterations. iteration 392: trace = 2.410942600433571 (0.00127125% change) linmin: converged after 5 iterations. iteration 393: trace = 2.410896675804421 (0.00190486% change) linmin: converged after 6 iterations. iteration 394: trace = 2.41088580671617 (0.000450833% change) large trace change predicted (0.00178846%) linmin: converged after 5 iterations. iteration 395: trace = 2.41084267544147 (0.00178904% change) linmin: converged after 6 iterations. iteration 396: trace = 2.41082776326263 (0.000618548% change) large trace change predicted (0.00209706%) linmin: converged after 4 iterations. iteration 397: trace = 2.410777189188901 (0.00209781% change) linmin: converged after 4 iterations. iteration 398: trace = 2.410732736948613 (0.00184391% change) linmin: converged after 5 iterations. iteration 399: trace = 2.410704224064811 (0.00118275% change) large trace change predicted (0.00273959%) linmin: converged after 5 iterations. iteration 400: trace = 2.410638174979878 (0.00273986% change) linmin: converged after 5 iterations. iteration 401: trace = 2.410594288289709 (0.00182056% change) large trace change predicted (0.00443552%) linmin: converged after 3 iterations. iteration 402: trace = 2.410487433647658 (0.00443281% change) linmin: converged after 5 iterations. iteration 403: trace = 2.410339621978142 (0.00613221% change) linmin: converged after 5 iterations. iteration 404: trace = 2.410276576802702 (0.00261565% change) large trace change predicted (0.00771873%) linmin: converged after 5 iterations. iteration 405: trace = 2.410090387241152 (0.00772512% change) linmin: converged after 11 iterations. iteration 406: trace = 2.409983236893561 (0.004446% change) linmin: converged after 8 iterations. iteration 407: trace = 2.409891249340129 (0.00381701% change) large trace change predicted (0.00822352%) linmin: converged after 7 iterations. iteration 408: trace = 2.409692890114012 (0.00823138% change) linmin: converged after 8 iterations. iteration 409: trace = 2.409638925872265 (0.00223949% change) large trace change predicted (0.00695661%) linmin: converged after 6 iterations. iteration 410: trace = 2.409471136864128 (0.00696349% change) linmin: converged after 4 iterations. iteration 411: trace = 2.409412341268498 (0.00244022% change) linmin: converged after 6 iterations. iteration 412: trace = 2.409373527999783 (0.00161091% change) linmin: converged after 4 iterations. iteration 413: trace = 2.409319883650718 (0.00222651% change) linmin: converged after 5 iterations. iteration 414: trace = 2.409296834481177 (0.000956672% change) linmin: converged after 8 iterations. iteration 415: trace = 2.409262549860002 (0.00142302% change) linmin: converged after 6 iterations. iteration 416: trace = 2.409199497647131 (0.00261711% change) linmin: converged after 9 iterations. iteration 417: trace = 2.409171562689071 (0.00115952% change) large trace change predicted (0.00416443%) linmin: converged after 5 iterations. iteration 418: trace = 2.40907124762142 (0.00416397% change) linmin: converged after 6 iterations. iteration 419: trace = 2.408936812336173 (0.00558053% change) resetting CG direction... linmin: converged after 5 iterations. iteration 420: trace = 2.40884536980297 (0.00379604% change) linmin: converged after 4 iterations. iteration 421: trace = 2.408766784460903 (0.00326242% change) linmin: converged after 5 iterations. iteration 422: trace = 2.40873825240394 (0.00118452% change) linmin: converged after 4 iterations. iteration 423: trace = 2.408694521974953 (0.00181551% change) linmin: converged after 5 iterations. iteration 424: trace = 2.408664288984477 (0.00125517% change) linmin: converged after 6 iterations. iteration 425: trace = 2.408653103841667 (0.000464372% change) large trace change predicted (0.00151053%) linmin: converged after 6 iterations. iteration 426: trace = 2.408616719906846 (0.00151056% change) linmin: converged after 5 iterations. iteration 427: trace = 2.408594306520328 (0.000930554% change) linmin: converged after 5 iterations. iteration 428: trace = 2.408555367129862 (0.0016167% change) linmin: converged after 5 iterations. iteration 429: trace = 2.408493399840501 (0.00257283% change) linmin: converged after 8 iterations. iteration 430: trace = 2.408455076460401 (0.00159119% change) large trace change predicted (0.0033969%) linmin: converged after 4 iterations. iteration 431: trace = 2.408373313618656 (0.00339488% change) linmin: converged after 5 iterations. iteration 432: trace = 2.408303082237244 (0.00291618% change) linmin: converged after 6 iterations. iteration 433: trace = 2.408237874705897 (0.00270765% change) linmin: converged after 5 iterations. iteration 434: trace = 2.408132693784109 (0.00436764% change) linmin: converged after 10 iterations. iteration 435: trace = 2.40810449622857 (0.00117094% change) large trace change predicted (0.00360745%) linmin: converged after 4 iterations. iteration 436: trace = 2.408017619337347 (0.00360775% change) linmin: converged after 5 iterations. iteration 437: trace = 2.407971889595799 (0.00189908% change) linmin: converged after 4 iterations. iteration 438: trace = 2.407929000919466 (0.00178113% change) linmin: converged after 3 iterations. iteration 439: trace = 2.407875085381806 (0.00223911% change) linmin: converged after 6 iterations. iteration 440: trace = 2.407860852410506 (0.000591103% change) large trace change predicted (0.00221406%) linmin: converged after 4 iterations. iteration 441: trace = 2.407807565673959 (0.00221306% change) linmin: converged after 4 iterations. iteration 442: trace = 2.407790726946645 (0.000699341% change) large trace change predicted (0.00143021%) linmin: converged after 8 iterations. iteration 443: trace = 2.407756313193691 (0.00142928% change) linmin: converged after 6 iterations. iteration 444: trace = 2.407728547374644 (0.00115319% change) linmin: converged after 4 iterations. iteration 445: trace = 2.407714740871218 (0.000573426% change) large trace change predicted (0.00136654%) linmin: converged after 4 iterations. iteration 446: trace = 2.407681851266846 (0.00136602% change) linmin: converged after 4 iterations. iteration 447: trace = 2.407669953607321 (0.000494155% change) large trace change predicted (0.00169263%) linmin: converged after 5 iterations. iteration 448: trace = 2.407629210959329 (0.00169222% change) linmin: converged after 4 iterations. iteration 449: trace = 2.407578448205526 (0.00210843% change) linmin: converged after 5 iterations. iteration 450: trace = 2.407512821383829 (0.00272588% change) linmin: converged after 5 iterations. iteration 451: trace = 2.407403449491264 (0.00454304% change) linmin: converged after 5 iterations. iteration 452: trace = 2.407355148172299 (0.00200639% change) linmin: converged after 6 iterations. iteration 453: trace = 2.407267081913678 (0.00365828% change) linmin: converged after 8 iterations. iteration 454: trace = 2.407218768216533 (0.00200701% change) linmin: converged after 5 iterations. iteration 455: trace = 2.407142527964752 (0.0031672% change) linmin: converged after 4 iterations. iteration 456: trace = 2.407117804087202 (0.00102711% change) linmin: converged after 3 iterations. iteration 457: trace = 2.407073258150542 (0.00185061% change) linmin: converged after 4 iterations. iteration 458: trace = 2.407050734415998 (0.000935736% change) linmin: converged after 4 iterations. iteration 459: trace = 2.407027364432506 (0.000970902% change) linmin: converged after 3 iterations. iteration 460: trace = 2.406988784909742 (0.0016028% change) linmin: converged after 5 iterations. iteration 461: trace = 2.406972373636673 (0.00068182% change) large trace change predicted (0.00158434%) linmin: converged after 4 iterations. iteration 462: trace = 2.406934242400134 (0.00158421% change) linmin: converged after 8 iterations. iteration 463: trace = 2.406926124309225 (0.00033728% change) large trace change predicted (0.000828964%) linmin: converged after 3 iterations. iteration 464: trace = 2.40690617315285 (0.000828909% change) linmin: converged after 9 iterations. iteration 465: trace = 2.406900554788137 (0.000233427% change) linmin: converged after 4 iterations. iteration 466: trace = 2.406889351951835 (0.000465448% change) linmin: converged after 6 iterations. iteration 467: trace = 2.406884490924564 (0.000201963% change) large trace change predicted (0.000495082%) linmin: converged after 5 iterations. iteration 468: trace = 2.406872577089417 (0.000494991% change) linmin: converged after 3 iterations. iteration 469: trace = 2.406864442448018 (0.000337976% change) large trace change predicted (0.000833811%) linmin: converged after 5 iterations. iteration 470: trace = 2.40684437648933 (0.000833701% change) linmin: converged after 4 iterations. iteration 471: trace = 2.406825302820948 (0.000792479% change) linmin: converged after 5 iterations. iteration 472: trace = 2.406792788343017 (0.00135094% change) large trace change predicted (0.00306352%) linmin: converged after 3 iterations. iteration 473: trace = 2.406719034244602 (0.00306446% change) linmin: converged after 4 iterations. iteration 474: trace = 2.406679014980358 (0.00166283% change) large trace change predicted (0.00353882%) linmin: converged after 3 iterations. iteration 475: trace = 2.406593823617491 (0.00353985% change) linmin: converged after 3 iterations. iteration 476: trace = 2.406558658407141 (0.00146121% change) linmin: converged after 7 iterations. iteration 477: trace = 2.406490317652924 (0.00283981% change) linmin: converged after 5 iterations. iteration 478: trace = 2.406461205255739 (0.00120975% change) linmin: converged after 3 iterations. iteration 479: trace = 2.40643282394902 (0.00117939% change) linmin: converged after 4 iterations. iteration 480: trace = 2.406416432845394 (0.000681139% change) linmin: converged after 5 iterations. iteration 481: trace = 2.406408498282746 (0.000329726% change) linmin: converged after 7 iterations. iteration 482: trace = 2.406395225064177 (0.000551579% change) linmin: converged after 5 iterations. iteration 483: trace = 2.406392161997054 (0.000127289% change) large trace change predicted (0.000455462%) linmin: converged after 4 iterations. iteration 484: trace = 2.40638120109199 (0.000455492% change) linmin: converged after 5 iterations. iteration 485: trace = 2.406377010053893 (0.000174164% change) large trace change predicted (0.000457464%) linmin: converged after 3 iterations. iteration 486: trace = 2.406366003249142 (0.000457403% change) linmin: converged after 5 iterations. iteration 487: trace = 2.406357878684496 (0.000337629% change) large trace change predicted (0.00117892%) linmin: converged after 7 iterations. iteration 488: trace = 2.406329508847688 (0.00117896% change) linmin: converged after 5 iterations. iteration 489: trace = 2.406315223409379 (0.000593663% change) resetting CG direction... linmin: converged after 5 iterations. iteration 490: trace = 2.406302757507245 (0.000518051% change) linmin: converged after 9 iterations. iteration 491: trace = 2.406287750826708 (0.000623643% change) linmin: converged after 5 iterations. iteration 492: trace = 2.406277789774955 (0.00041396% change) linmin: converged after 13 iterations. iteration 493: trace = 2.406272438747876 (0.000222378% change) large trace change predicted (0.000629868%) linmin: converged after 3 iterations. iteration 494: trace = 2.406257283148648 (0.000629839% change) linmin: converged after 5 iterations. iteration 495: trace = 2.406246832767715 (0.000434301% change) linmin: converged after 5 iterations. iteration 496: trace = 2.406229444878484 (0.000722617% change) linmin: converged after 4 iterations. iteration 497: trace = 2.406216029161357 (0.000557543% change) linmin: converged after 5 iterations. iteration 498: trace = 2.406207197728149 (0.000367026% change) linmin: converged after 5 iterations. iteration 499: trace = 2.406192297942957 (0.000619225% change) linmin: converged after 4 iterations. iteration 500: trace = 2.40616705115296 (0.00104925% change) linmin: converged after 14 iterations. iteration 501: trace = 2.406157663421548 (0.000390154% change) large trace change predicted (0.00182468%) linmin: converged after 5 iterations. iteration 502: trace = 2.40611374347182 (0.00182533% change) linmin: converged after 7 iterations. iteration 503: trace = 2.406066732903695 (0.00195382% change) linmin: converged after 3 iterations. iteration 504: trace = 2.406035942499346 (0.00127971% change) linmin: converged after 4 iterations. iteration 505: trace = 2.40597874233808 (0.00237739% change) linmin: converged after 3 iterations. iteration 506: trace = 2.405950386696885 (0.00117856% change) linmin: converged after 6 iterations. iteration 507: trace = 2.405895764571702 (0.00227032% change) linmin: converged after 4 iterations. iteration 508: trace = 2.405853357064074 (0.00176266% change) linmin: converged after 5 iterations. iteration 509: trace = 2.405840916479183 (0.000517098% change) linmin: converged after 3 iterations. iteration 510: trace = 2.405823955919807 (0.000704977% change) linmin: converged after 6 iterations. iteration 511: trace = 2.405818149043554 (0.000241368% change) linmin: converged after 4 iterations. iteration 512: trace = 2.405808917369222 (0.000383724% change) linmin: converged after 7 iterations. iteration 513: trace = 2.405795250622186 (0.000568074% change) linmin: converged after 5 iterations. iteration 514: trace = 2.405790679374766 (0.00019001% change) large trace change predicted (0.00110032%) linmin: converged after 5 iterations. iteration 515: trace = 2.405764209109588 (0.00110028% change) linmin: converged after 14 iterations. iteration 516: trace = 2.405749266418785 (0.000621122% change) linmin: converged after 6 iterations. iteration 517: trace = 2.405726965367119 (0.000926994% change) linmin: converged after 4 iterations. iteration 518: trace = 2.405689570711183 (0.00155441% change) linmin: converged after 4 iterations. iteration 519: trace = 2.405646994585687 (0.00176983% change) linmin: converged after 4 iterations. iteration 520: trace = 2.405584431846197 (0.0026007% change) linmin: converged after 4 iterations. iteration 521: trace = 2.405517288725657 (0.00279117% change) linmin: converged after 5 iterations. iteration 522: trace = 2.405481872055955 (0.00147232% change) linmin: converged after 3 iterations. iteration 523: trace = 2.405416873456939 (0.00270214% change) linmin: converged after 8 iterations. iteration 524: trace = 2.405386750289137 (0.00125231% change) linmin: converged after 4 iterations. iteration 525: trace = 2.405337790465387 (0.00203544% change) linmin: converged after 4 iterations. iteration 526: trace = 2.405260406573686 (0.00321723% change) linmin: converged after 4 iterations. iteration 527: trace = 2.405233919494853 (0.00110122% change) large trace change predicted (0.00388802%) linmin: converged after 4 iterations. iteration 528: trace = 2.405140384052963 (0.0038889% change) linmin: converged after 5 iterations. iteration 529: trace = 2.405096016818185 (0.0018447% change) linmin: converged after 3 iterations. iteration 530: trace = 2.405049092281113 (0.00195107% change) linmin: converged after 3 iterations. iteration 531: trace = 2.405017698779311 (0.00130532% change) linmin: converged after 4 iterations. iteration 532: trace = 2.405001952592511 (0.000654724% change) linmin: converged after 7 iterations. iteration 533: trace = 2.404985000337662 (0.000704877% change) linmin: converged after 4 iterations. iteration 534: trace = 2.404959768375598 (0.00104916% change) linmin: converged after 6 iterations. iteration 535: trace = 2.404947245002566 (0.000520732% change) large trace change predicted (0.00318279%) linmin: converged after 4 iterations. iteration 536: trace = 2.404870713754655 (0.00318229% change) linmin: converged after 6 iterations. iteration 537: trace = 2.404837422630359 (0.00138433% change) large trace change predicted (0.0033508%) linmin: converged after 4 iterations. iteration 538: trace = 2.40475686967945 (0.00334968% change) linmin: converged after 4 iterations. iteration 539: trace = 2.404613643120394 (0.00595615% change) linmin: converged after 5 iterations. iteration 540: trace = 2.404566422326271 (0.00196378% change) large trace change predicted (0.00773941%) linmin: converged after 4 iterations. iteration 541: trace = 2.404380276971157 (0.00774163% change) linmin: converged after 9 iterations. iteration 542: trace = 2.404340921152471 (0.00163685% change) large trace change predicted (0.00556032%) linmin: converged after 3 iterations. iteration 543: trace = 2.404207107720622 (0.00556565% change) linmin: converged after 3 iterations. iteration 544: trace = 2.404155147942544 (0.00216123% change) linmin: converged after 8 iterations. iteration 545: trace = 2.404117928959743 (0.00154812% change) large trace change predicted (0.00327484%) linmin: converged after 5 iterations. iteration 546: trace = 2.404039156155926 (0.00327663% change) linmin: converged after 5 iterations. iteration 547: trace = 2.404009316062777 (0.00124126% change) linmin: converged after 4 iterations. iteration 548: trace = 2.40395229984494 (0.00237174% change) linmin: converged after 5 iterations. iteration 549: trace = 2.403899853006346 (0.00218172% change) linmin: converged after 5 iterations. iteration 550: trace = 2.403874871202987 (0.00103923% change) large trace change predicted (0.0021806%) linmin: converged after 4 iterations. iteration 551: trace = 2.4038224522444 (0.00218063% change) linmin: converged after 3 iterations. iteration 552: trace = 2.403784142638 (0.00159371% change) linmin: converged after 5 iterations. iteration 553: trace = 2.403753120494799 (0.00129056% change) large trace change predicted (0.00423103%) linmin: converged after 5 iterations. iteration 554: trace = 2.403651411135362 (0.00423136% change) linmin: converged after 6 iterations. iteration 555: trace = 2.40361082588419 (0.0016885% change) large trace change predicted (0.0109348%) linmin: converged after 6 iterations. iteration 556: trace = 2.403347904408152 (0.0109392% change) linmin: converged after 5 iterations. iteration 557: trace = 2.403271409136509 (0.00318291% change) large trace change predicted (0.0100511%) linmin: converged after 5 iterations. iteration 558: trace = 2.403029453849117 (0.0100683% change) large trace change predicted (0.0260082%) linmin: converged after 7 iterations. iteration 559: trace = 2.402407779990961 (0.0258738% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.402195506835732 (0.00883624% change) linmin: converged after 3 iterations. iteration 561: trace = 2.401868131667623 (0.0136291% change) linmin: converged after 5 iterations. iteration 562: trace = 2.401728042677124 (0.00583267% change) linmin: converged after 6 iterations. iteration 563: trace = 2.401645148858446 (0.00345148% change) large trace change predicted (0.00749443%) linmin: converged after 5 iterations. iteration 564: trace = 2.401465150678455 (0.00749507% change) linmin: converged after 7 iterations. iteration 565: trace = 2.401416807475036 (0.00201309% change) linmin: converged after 5 iterations. iteration 566: trace = 2.401354246704106 (0.00260519% change) linmin: converged after 4 iterations. iteration 567: trace = 2.401290300051937 (0.00266298% change) linmin: converged after 5 iterations. iteration 568: trace = 2.401272192959321 (0.00075406% change) large trace change predicted (0.00234444%) linmin: converged after 5 iterations. iteration 569: trace = 2.401215894905602 (0.00234454% change) linmin: converged after 5 iterations. iteration 570: trace = 2.401166809389967 (0.00204422% change) linmin: converged after 4 iterations. iteration 571: trace = 2.40112942241486 (0.00155705% change) linmin: converged after 5 iterations. iteration 572: trace = 2.401055717441249 (0.00306964% change) linmin: converged after 5 iterations. iteration 573: trace = 2.401018802497112 (0.00153746% change) linmin: converged after 5 iterations. iteration 574: trace = 2.400947806100137 (0.00295697% change) linmin: converged after 6 iterations. iteration 575: trace = 2.40087362152737 (0.00308985% change) linmin: converged after 6 iterations. iteration 576: trace = 2.400813796027036 (0.00249185% change) linmin: converged after 6 iterations. iteration 577: trace = 2.400706373302285 (0.00447453% change) linmin: converged after 5 iterations. iteration 578: trace = 2.400621260296252 (0.00354539% change) linmin: converged after 4 iterations. iteration 579: trace = 2.400468942959684 (0.00634511% change) linmin: converged after 5 iterations. iteration 580: trace = 2.400297975188739 (0.00712252% change) linmin: converged after 7 iterations. iteration 581: trace = 2.400212264473546 (0.0035709% change) linmin: converged after 5 iterations. iteration 582: trace = 2.400095878987042 (0.00484908% change) linmin: converged after 6 iterations. iteration 583: trace = 2.400034986644088 (0.00253711% change) linmin: converged after 5 iterations. iteration 584: trace = 2.399977779156389 (0.00238364% change) linmin: converged after 3 iterations. iteration 585: trace = 2.399932866664747 (0.00187139% change) linmin: converged after 5 iterations. iteration 586: trace = 2.399916820658663 (0.000668605% change) large trace change predicted (0.00186583%) linmin: converged after 7 iterations. iteration 587: trace = 2.399872067487373 (0.0018648% change) linmin: converged after 6 iterations. iteration 588: trace = 2.3998544453472 (0.000734298% change) linmin: converged after 5 iterations. iteration 589: trace = 2.399822023374446 (0.00135101% change) linmin: converged after 4 iterations. iteration 590: trace = 2.399766828497513 (0.00229998% change) linmin: converged after 6 iterations. iteration 591: trace = 2.399745171651595 (0.00090246% change) large trace change predicted (0.00265864%) linmin: converged after 5 iterations. iteration 592: trace = 2.399681392580651 (0.00265778% change) linmin: converged after 8 iterations. iteration 593: trace = 2.399659499959718 (0.000912318% change) large trace change predicted (0.00217435%) linmin: converged after 5 iterations. iteration 594: trace = 2.399607312618405 (0.0021748% change) linmin: converged after 4 iterations. iteration 595: trace = 2.399556221632281 (0.00212916% change) linmin: converged after 6 iterations. iteration 596: trace = 2.399528100211759 (0.00117195% change) large trace change predicted (0.0040867%) linmin: converged after 4 iterations. iteration 597: trace = 2.399430057253231 (0.00408601% change) linmin: converged after 3 iterations. iteration 598: trace = 2.399345982558203 (0.00350401% change) linmin: converged after 5 iterations. iteration 599: trace = 2.399276923106831 (0.0028783% change) linmin: converged after 5 iterations. iteration 600: trace = 2.399152201975689 (0.00519842% change) linmin: converged after 8 iterations. iteration 601: trace = 2.399121722358563 (0.00127044% change) linmin: converged after 3 iterations. iteration 602: trace = 2.399068011777945 (0.00223879% change) linmin: converged after 4 iterations. iteration 603: trace = 2.399027189347512 (0.00170161% change) linmin: converged after 5 iterations. iteration 604: trace = 2.399016560572202 (0.000443046% change) large trace change predicted (0.00131624%) linmin: converged after 5 iterations. iteration 605: trace = 2.398984983860761 (0.00131624% change) linmin: converged after 5 iterations. iteration 606: trace = 2.398979166913541 (0.000242476% change) large trace change predicted (0.000669677%) linmin: converged after 5 iterations. iteration 607: trace = 2.398963096794955 (0.000669875% change) linmin: converged after 4 iterations. iteration 608: trace = 2.398949594404852 (0.000562844% change) linmin: converged after 4 iterations. iteration 609: trace = 2.398943754902132 (0.000243419% change) large trace change predicted (0.00133345%) linmin: converged after 12 iterations. iteration 610: trace = 2.398911768661333 (0.00133336% change) linmin: converged after 7 iterations. iteration 611: trace = 2.398891063210092 (0.000863122% change) large trace change predicted (0.00270876%) linmin: converged after 9 iterations. iteration 612: trace = 2.398826128704545 (0.00270689% change) linmin: converged after 3 iterations. iteration 613: trace = 2.398763005185859 (0.00263147% change) linmin: converged after 5 iterations. iteration 614: trace = 2.398724752227411 (0.00159471% change) large trace change predicted (0.0037514%) linmin: converged after 5 iterations. iteration 615: trace = 2.398634806588066 (0.0037498% change) linmin: converged after 5 iterations. iteration 616: trace = 2.3985948767567 (0.0016647% change) linmin: converged after 4 iterations. iteration 617: trace = 2.398548213378769 (0.00194547% change) linmin: converged after 5 iterations. iteration 618: trace = 2.398507999580008 (0.0016766% change) linmin: converged after 5 iterations. iteration 619: trace = 2.398494676542814 (0.000555473% change) linmin: converged after 5 iterations. iteration 620: trace = 2.398474748493398 (0.00083086% change) linmin: converged after 5 iterations. iteration 621: trace = 2.398465656981613 (0.000379055% change) linmin: converged after 5 iterations. iteration 622: trace = 2.398451046141196 (0.000609176% change) linmin: converged after 6 iterations. iteration 623: trace = 2.398431542519266 (0.000813179% change) linmin: converged after 5 iterations. iteration 624: trace = 2.398423795821786 (0.000322991% change) large trace change predicted (0.00097871%) linmin: converged after 3 iterations. iteration 625: trace = 2.398400321829406 (0.000978731% change) linmin: converged after 5 iterations. iteration 626: trace = 2.398395126368866 (0.000216622% change) large trace change predicted (0.000500351%) linmin: converged after 3 iterations. iteration 627: trace = 2.398383125486299 (0.000500373% change) linmin: converged after 3 iterations. iteration 628: trace = 2.398372065672227 (0.000461137% change) linmin: converged after 8 iterations. iteration 629: trace = 2.398367419245698 (0.000193733% change) resetting CG direction... linmin: converged after 10 iterations. iteration 630: trace = 2.39836372150274 (0.000154178% change) linmin: converged after 4 iterations. iteration 631: trace = 2.398356730062063 (0.000291509% change) linmin: converged after 6 iterations. iteration 632: trace = 2.398345823006921 (0.000454773% change) linmin: converged after 13 iterations. iteration 633: trace = 2.398339662590773 (0.000256861% change) large trace change predicted (0.000855488%) linmin: converged after 3 iterations. iteration 634: trace = 2.39831914573499 (0.000855464% change) linmin: converged after 3 iterations. iteration 635: trace = 2.398310777324711 (0.000348929% change) large trace change predicted (0.000750647%) linmin: converged after 4 iterations. iteration 636: trace = 2.398292775206227 (0.000750619% change) linmin: converged after 5 iterations. iteration 637: trace = 2.398275765776214 (0.000709233% change) linmin: converged after 9 iterations. iteration 638: trace = 2.398268446012066 (0.00030521% change) large trace change predicted (0.00072187%) linmin: converged after 8 iterations. iteration 639: trace = 2.398251133805367 (0.000721865% change) linmin: converged after 5 iterations. iteration 640: trace = 2.39821888734275 (0.00134459% change) linmin: converged after 4 iterations. iteration 641: trace = 2.398207331323529 (0.00048186% change) large trace change predicted (0.00255232%) linmin: converged after 4 iterations. iteration 642: trace = 2.398146105073958 (0.00255303% change) linmin: converged after 6 iterations. iteration 643: trace = 2.398117865066942 (0.00117758% change) large trace change predicted (0.00244075%) linmin: converged after 3 iterations. iteration 644: trace = 2.398059328875096 (0.00244095% change) linmin: converged after 4 iterations. iteration 645: trace = 2.398000467934842 (0.00245455% change) linmin: converged after 5 iterations. iteration 646: trace = 2.397975083131518 (0.00105859% change) linmin: converged after 5 iterations. iteration 647: trace = 2.397935490397161 (0.0016511% change) linmin: converged after 5 iterations. iteration 648: trace = 2.397904543993425 (0.00129055% change) linmin: converged after 7 iterations. iteration 649: trace = 2.397897100294473 (0.000310426% change) large trace change predicted (0.000854109%) linmin: converged after 5 iterations. iteration 650: trace = 2.397876624170693 (0.000853924% change) linmin: converged after 4 iterations. iteration 651: trace = 2.397869537898448 (0.000295523% change) linmin: converged after 13 iterations. iteration 652: trace = 2.397858340499366 (0.000466974% change) large trace change predicted (0.00112068%) linmin: converged after 3 iterations. iteration 653: trace = 2.397831473887701 (0.00112045% change) linmin: converged after 5 iterations. iteration 654: trace = 2.397824973439249 (0.000271097% change) large trace change predicted (0.00134799%) linmin: converged after 9 iterations. iteration 655: trace = 2.397792650937354 (0.001348% change) linmin: converged after 5 iterations. iteration 656: trace = 2.397778413120932 (0.00059379% change) linmin: converged after 6 iterations. iteration 657: trace = 2.397752265738149 (0.00109049% change) linmin: converged after 10 iterations. iteration 658: trace = 2.397724245587449 (0.00116861% change) linmin: converged after 5 iterations. iteration 659: trace = 2.397708042360625 (0.000675778% change) large trace change predicted (0.00191491%) linmin: converged after 4 iterations. iteration 660: trace = 2.397662145064122 (0.00191423% change) linmin: converged after 5 iterations. iteration 661: trace = 2.397611491563597 (0.00211264% change) linmin: converged after 5 iterations. iteration 662: trace = 2.397585850918246 (0.00106943% change) large trace change predicted (0.00383373%) linmin: converged after 4 iterations. iteration 663: trace = 2.397494001553923 (0.00383098% change) linmin: converged after 4 iterations. iteration 664: trace = 2.397462697736208 (0.0013057% change) large trace change predicted (0.00314638%) linmin: converged after 4 iterations. iteration 665: trace = 2.39738726259244 (0.00314651% change) linmin: converged after 3 iterations. iteration 666: trace = 2.397322523154446 (0.00270045% change) linmin: converged after 4 iterations. iteration 667: trace = 2.397288354698873 (0.00142529% change) linmin: converged after 3 iterations. iteration 668: trace = 2.397228111742264 (0.00251299% change) linmin: converged after 6 iterations. iteration 669: trace = 2.397216666621441 (0.000477433% change) large trace change predicted (0.00126447%) linmin: converged after 4 iterations. iteration 670: trace = 2.397186353973611 (0.0012645% change) linmin: converged after 6 iterations. iteration 671: trace = 2.397178517167727 (0.000326917% change) large trace change predicted (0.000664349%) linmin: converged after 3 iterations. iteration 672: trace = 2.397162595308912 (0.000664194% change) linmin: converged after 5 iterations. iteration 673: trace = 2.397144219036969 (0.000766587% change) linmin: converged after 5 iterations. iteration 674: trace = 2.397132083919843 (0.000506234% change) large trace change predicted (0.00233698%) linmin: converged after 3 iterations. iteration 675: trace = 2.397076086851118 (0.00233603% change) linmin: converged after 4 iterations. iteration 676: trace = 2.397034830967578 (0.00172111% change) large trace change predicted (0.00428911%) linmin: converged after 8 iterations. iteration 677: trace = 2.39693208719195 (0.00428638% change) linmin: converged after 4 iterations. iteration 678: trace = 2.396839397524537 (0.00386709% change) linmin: converged after 5 iterations. iteration 679: trace = 2.396781415618249 (0.00241913% change) linmin: converged after 6 iterations. iteration 680: trace = 2.396672724706038 (0.00453497% change) linmin: converged after 5 iterations. iteration 681: trace = 2.396631185103097 (0.00173323% change) linmin: converged after 4 iterations. iteration 682: trace = 2.396560443399192 (0.00295176% change) linmin: converged after 5 iterations. iteration 683: trace = 2.396505001554276 (0.00231342% change) linmin: converged after 4 iterations. iteration 684: trace = 2.396479603237697 (0.00105981% change) linmin: converged after 5 iterations. iteration 685: trace = 2.396435137780525 (0.00185547% change) linmin: converged after 5 iterations. iteration 686: trace = 2.396420323150005 (0.000618196% change) large trace change predicted (0.00147188%) linmin: converged after 6 iterations. iteration 687: trace = 2.396385048318661 (0.00147199% change) linmin: converged after 5 iterations. iteration 688: trace = 2.396349971522632 (0.00146375% change) linmin: converged after 5 iterations. iteration 689: trace = 2.396337991730889 (0.00049992% change) large trace change predicted (0.00168097%) linmin: converged after 5 iterations. iteration 690: trace = 2.396297713895724 (0.00168082% change) linmin: converged after 6 iterations. iteration 691: trace = 2.396286619435852 (0.000462984% change) large trace change predicted (0.00134946%) linmin: converged after 3 iterations. iteration 692: trace = 2.396254285144121 (0.00134936% change) linmin: converged after 7 iterations. iteration 693: trace = 2.39622202543586 (0.00134626% change) linmin: converged after 7 iterations. iteration 694: trace = 2.396195219623544 (0.00111868% change) large trace change predicted (0.00334316%) linmin: converged after 5 iterations. iteration 695: trace = 2.396115065307883 (0.00334512% change) linmin: converged after 5 iterations. iteration 696: trace = 2.396085620931466 (0.00122885% change) large trace change predicted (0.00433142%) linmin: converged after 5 iterations. iteration 697: trace = 2.39598183478749 (0.00433158% change) linmin: converged after 5 iterations. iteration 698: trace = 2.395809617775953 (0.007188% change) linmin: converged after 4 iterations. iteration 699: trace = 2.395568319100302 (0.0100722% change) resetting CG direction... linmin: converged after 3 iterations. iteration 700: trace = 2.395410075563928 (0.0066059% change) linmin: converged after 3 iterations. iteration 701: trace = 2.395317339548584 (0.00387148% change) linmin: converged after 6 iterations. iteration 702: trace = 2.395211923835519 (0.004401% change) linmin: converged after 5 iterations. iteration 703: trace = 2.395189814440662 (0.000923071% change) large trace change predicted (0.00237926%) linmin: converged after 6 iterations. iteration 704: trace = 2.395132818898269 (0.00237961% change) linmin: converged after 5 iterations. iteration 705: trace = 2.395079396324338 (0.00223049% change) linmin: converged after 6 iterations. iteration 706: trace = 2.395067186080734 (0.000509807% change) large trace change predicted (0.00131787%) linmin: converged after 4 iterations. iteration 707: trace = 2.395035624345418 (0.00131779% change) linmin: converged after 5 iterations. iteration 708: trace = 2.395013326620272 (0.000931002% change) linmin: converged after 4 iterations. iteration 709: trace = 2.394999995246153 (0.000556632% change) large trace change predicted (0.0011446%) linmin: converged after 4 iterations. iteration 710: trace = 2.394972583122991 (0.00114456% change) linmin: converged after 5 iterations. iteration 711: trace = 2.394964304433325 (0.00034567% change) large trace change predicted (0.00107746%) linmin: converged after 6 iterations. iteration 712: trace = 2.394938501554495 (0.00107739% change) linmin: converged after 12 iterations. iteration 713: trace = 2.394921722822924 (0.000700594% change) linmin: converged after 6 iterations. iteration 714: trace = 2.394910617451455 (0.000463706% change) linmin: converged after 5 iterations. iteration 715: trace = 2.394888908787185 (0.000906454% change) linmin: converged after 4 iterations. iteration 716: trace = 2.39485811359496 (0.00128588% change) linmin: converged after 5 iterations. iteration 717: trace = 2.394827052504112 (0.001297% change) large trace change predicted (0.00348891%) linmin: converged after 8 iterations. iteration 718: trace = 2.394743562720234 (0.00348632% change) linmin: converged after 5 iterations. iteration 719: trace = 2.394715347129492 (0.00117824% change) large trace change predicted (0.00279665%) linmin: converged after 10 iterations. iteration 720: trace = 2.394648421654904 (0.00279475% change) linmin: converged after 5 iterations. iteration 721: trace = 2.394585509961674 (0.00262721% change) linmin: converged after 5 iterations. iteration 722: trace = 2.394566612451982 (0.00078918% change) large trace change predicted (0.00190489%) linmin: converged after 3 iterations. iteration 723: trace = 2.394521010439705 (0.00190441% change) linmin: converged after 5 iterations. iteration 724: trace = 2.394510269610088 (0.00044856% change) linmin: converged after 7 iterations. iteration 725: trace = 2.394493284335169 (0.000709345% change) linmin: converged after 4 iterations. iteration 726: trace = 2.394484761418712 (0.000355939% change) linmin: converged after 5 iterations. iteration 727: trace = 2.394481869463123 (0.000120776% change) large trace change predicted (0.000448995%) linmin: converged after 4 iterations. iteration 728: trace = 2.394471118825414 (0.000448977% change) linmin: converged after 12 iterations. iteration 729: trace = 2.394459436363295 (0.000487894% change) linmin: converged after 4 iterations. iteration 730: trace = 2.394452303641905 (0.000297885% change) large trace change predicted (0.00152076%) linmin: converged after 3 iterations. iteration 731: trace = 2.394415905499054 (0.00152011% change) linmin: converged after 5 iterations. iteration 732: trace = 2.394399544799344 (0.000683288% change) large trace change predicted (0.00193286%) linmin: converged after 8 iterations. iteration 733: trace = 2.394353296604729 (0.00193153% change) linmin: converged after 7 iterations. iteration 734: trace = 2.394327450369064 (0.00107947% change) linmin: converged after 6 iterations. iteration 735: trace = 2.394310539574215 (0.000706288% change) linmin: converged after 6 iterations. iteration 736: trace = 2.394281165912245 (0.00122682% change) linmin: converged after 5 iterations. iteration 737: trace = 2.394266574686711 (0.000609422% change) linmin: converged after 5 iterations. iteration 738: trace = 2.394249302008796 (0.000721421% change) linmin: converged after 5 iterations. iteration 739: trace = 2.394232545726543 (0.000699858% change) linmin: converged after 5 iterations. iteration 740: trace = 2.394228387658724 (0.00017367% change) large trace change predicted (0.000543597%) linmin: converged after 5 iterations. iteration 741: trace = 2.39421537338913 (0.00054357% change) linmin: converged after 4 iterations. iteration 742: trace = 2.394210821314892 (0.000190128% change) linmin: converged after 7 iterations. iteration 743: trace = 2.394204521865811 (0.000263112% change) linmin: converged after 5 iterations. iteration 744: trace = 2.394193867467209 (0.000445009% change) linmin: converged after 5 iterations. iteration 745: trace = 2.394191536383627 (9.73641e-05% change) large trace change predicted (0.000358246%) linmin: converged after 5 iterations. iteration 746: trace = 2.394182959646607 (0.000358232% change) linmin: converged after 4 iterations. iteration 747: trace = 2.394179298463946 (0.00015292% change) linmin: converged after 4 iterations. iteration 748: trace = 2.394174733175493 (0.000190683% change) linmin: converged after 4 iterations. iteration 749: trace = 2.394167448859404 (0.000304252% change) linmin: converged after 6 iterations. iteration 750: trace = 2.394164136933835 (0.000138333% change) large trace change predicted (0.000471437%) linmin: converged after 3 iterations. iteration 751: trace = 2.394152851509432 (0.000471373% change) linmin: converged after 6 iterations. iteration 752: trace = 2.394145128625481 (0.000322573% change) large trace change predicted (0.000813315%) linmin: converged after 6 iterations. iteration 753: trace = 2.394125658980199 (0.000813222% change) linmin: converged after 10 iterations. iteration 754: trace = 2.394117648253308 (0.0003346% change) large trace change predicted (0.000956771%) linmin: converged after 3 iterations. iteration 755: trace = 2.394094749718316 (0.000956454% change) linmin: converged after 5 iterations. iteration 756: trace = 2.394087022031474 (0.000322782% change) linmin: converged after 15 iterations. iteration 757: trace = 2.394074857716856 (0.0005081% change) linmin: converged after 3 iterations. iteration 758: trace = 2.394067521948842 (0.000306414% change) linmin: converged after 6 iterations. iteration 759: trace = 2.394063156339007 (0.000182351% change) linmin: converged after 12 iterations. iteration 760: trace = 2.394056081814409 (0.000295503% change) linmin: converged after 14 iterations. iteration 761: trace = 2.394053149645385 (0.000122477% change) linmin: converged after 9 iterations. iteration 762: trace = 2.394049186646191 (0.000165535% change) linmin: converged after 5 iterations. iteration 763: trace = 2.394045986547251 (0.000133669% change) linmin: converged after 15 iterations. iteration 764: trace = 2.394042384986668 (0.000150438% change) linmin: converged after 6 iterations. iteration 765: trace = 2.394040771186134 (6.7409e-05% change) large trace change predicted (0.000155385%) linmin: converged after 5 iterations. iteration 766: trace = 2.394037051215415 (0.000155385% change) linmin: converged after 10 iterations. iteration 767: trace = 2.394035350814482 (7.10265e-05% change) linmin: converged after 4 iterations. iteration 768: trace = 2.394032679227255 (0.000111594% change) linmin: converged after 10 iterations. iteration 769: trace = 2.394031130125959 (6.47068e-05% change) resetting CG direction... linmin: converged after 22 iterations. iteration 770: trace = 2.394029811773207 (5.50683e-05% change) linmin: converged after 4 iterations. iteration 771: trace = 2.394029104973594 (2.95234e-05% change) large trace change predicted (0.000115351%) linmin: converged after 4 iterations. iteration 772: trace = 2.394026343430612 (0.000115351% change) linmin: converged after 4 iterations. iteration 773: trace = 2.394022197471191 (0.00017318% change) linmin: converged after 5 iterations. iteration 774: trace = 2.394020329324581 (7.80338e-05% change) large trace change predicted (0.000277776%) linmin: converged after 3 iterations. iteration 775: trace = 2.394013679660368 (0.000277762% change) linmin: converged after 7 iterations. iteration 776: trace = 2.394011799018087 (7.85561e-05% change) large trace change predicted (0.000182361%) linmin: converged after 4 iterations. iteration 777: trace = 2.394007433313611 (0.00018236% change) linmin: converged after 5 iterations. iteration 778: trace = 2.394002137102839 (0.000221228% change) linmin: converged after 9 iterations. iteration 779: trace = 2.393999472121235 (0.000111319% change) large trace change predicted (0.000341372%) linmin: converged after 20 iterations. iteration 780: trace = 2.393991300308845 (0.000341346% change) linmin: converged after 4 iterations. iteration 781: trace = 2.393981845531376 (0.000394939% change) linmin: converged after 4 iterations. iteration 782: trace = 2.393971026691969 (0.000451919% change) linmin: converged after 4 iterations. iteration 783: trace = 2.393951531050663 (0.000814367% change) linmin: converged after 5 iterations. iteration 784: trace = 2.393945801831866 (0.000239321% change) large trace change predicted (0.000558045%) linmin: converged after 9 iterations. iteration 785: trace = 2.393932442922182 (0.00055803% change) linmin: converged after 11 iterations. iteration 786: trace = 2.393925880119512 (0.000274144% change) linmin: converged after 5 iterations. iteration 787: trace = 2.393922249993955 (0.000151639% change) large trace change predicted (0.000336343%) linmin: converged after 6 iterations. iteration 788: trace = 2.393914198479195 (0.000336332% change) linmin: converged after 6 iterations. iteration 789: trace = 2.393912932722061 (5.2874e-05% change) large trace change predicted (0.00021439%) linmin: converged after 9 iterations. iteration 790: trace = 2.393907800615462 (0.000214382% change) linmin: converged after 4 iterations. iteration 791: trace = 2.393904213841473 (0.000149829% change) linmin: converged after 4 iterations. iteration 792: trace = 2.393901111054394 (0.000129612% change) linmin: converged after 13 iterations. iteration 793: trace = 2.393896021841291 (0.000212591% change) linmin: converged after 5 iterations. iteration 794: trace = 2.39389268396024 (0.000139433% change) large trace change predicted (0.000301873%) linmin: converged after 4 iterations. iteration 795: trace = 2.3938854559821 (0.000301935% change) linmin: converged after 5 iterations. iteration 796: trace = 2.393879282688833 (0.000257878% change) linmin: converged after 7 iterations. iteration 797: trace = 2.393874379645379 (0.000204816% change) large trace change predicted (0.000450948%) linmin: converged after 4 iterations. iteration 798: trace = 2.393863582988204 (0.000451013% change) linmin: converged after 6 iterations. iteration 799: trace = 2.393859480677139 (0.000171368% change) large trace change predicted (0.000407438%) linmin: converged after 3 iterations. iteration 800: trace = 2.393849726077021 (0.000407485% change) linmin: converged after 5 iterations. iteration 801: trace = 2.393835421609626 (0.000597553% change) linmin: converged after 6 iterations. iteration 802: trace = 2.393825115962522 (0.000430509% change) large trace change predicted (0.000931597%) linmin: converged after 5 iterations. iteration 803: trace = 2.393802818754054 (0.000931451% change) linmin: converged after 5 iterations. iteration 804: trace = 2.393796442177971 (0.000266379% change) large trace change predicted (0.000986405%) linmin: converged after 5 iterations. iteration 805: trace = 2.393772833960626 (0.00098623% change) linmin: converged after 5 iterations. iteration 806: trace = 2.393764902237437 (0.000331349% change) linmin: converged after 4 iterations. iteration 807: trace = 2.393756448811137 (0.000353144% change) linmin: converged after 4 iterations. iteration 808: trace = 2.393746446033642 (0.00041787% change) linmin: converged after 4 iterations. iteration 809: trace = 2.393744671628163 (7.41267e-05% change) large trace change predicted (0.000211065%) linmin: converged after 4 iterations. iteration 810: trace = 2.393739619407469 (0.00021106% change) linmin: converged after 3 iterations. iteration 811: trace = 2.393737737326322 (7.86252e-05% change) large trace change predicted (0.00017777%) linmin: converged after 8 iterations. iteration 812: trace = 2.393733481997375 (0.000177769% change) linmin: converged after 6 iterations. iteration 813: trace = 2.393726734124508 (0.000281898% change) linmin: converged after 5 iterations. iteration 814: trace = 2.39372311534047 (0.000151178% change) large trace change predicted (0.00086141%) linmin: converged after 4 iterations. iteration 815: trace = 2.393702496192755 (0.000861388% change) linmin: converged after 5 iterations. iteration 816: trace = 2.393689243933546 (0.000553632% change) linmin: converged after 5 iterations. iteration 817: trace = 2.393663992382533 (0.00105493% change) linmin: converged after 4 iterations. iteration 818: trace = 2.39363795432329 (0.0010878% change) linmin: converged after 5 iterations. iteration 819: trace = 2.393626100117342 (0.000495239% change) linmin: converged after 4 iterations. iteration 820: trace = 2.393602685634324 (0.000978206% change) linmin: converged after 3 iterations. iteration 821: trace = 2.393594989581843 (0.000321526% change) linmin: converged after 4 iterations. iteration 822: trace = 2.393586868693427 (0.000339276% change) linmin: converged after 4 iterations. iteration 823: trace = 2.393578129112274 (0.000365126% change) linmin: converged after 5 iterations. iteration 824: trace = 2.393573788395762 (0.000181349% change) linmin: converged after 4 iterations. iteration 825: trace = 2.39356760581938 (0.000258299% change) linmin: converged after 4 iterations. iteration 826: trace = 2.393564900480881 (0.000113025% change) linmin: converged after 12 iterations. iteration 827: trace = 2.3935595411449 (0.000223906% change) linmin: converged after 7 iterations. iteration 828: trace = 2.393555331082057 (0.000175891% change) linmin: converged after 4 iterations. iteration 829: trace = 2.393549695613347 (0.000235444% change) linmin: converged after 4 iterations. iteration 830: trace = 2.393543334158702 (0.000265775% change) linmin: converged after 4 iterations. iteration 831: trace = 2.393538635349844 (0.000196312% change) linmin: converged after 7 iterations. iteration 832: trace = 2.393530325757564 (0.000347168% change) linmin: converged after 7 iterations. iteration 833: trace = 2.393526406541849 (0.000163742% change) large trace change predicted (0.000439946%) linmin: converged after 6 iterations. iteration 834: trace = 2.393515875930515 (0.000439963% change) linmin: converged after 4 iterations. iteration 835: trace = 2.393507838142166 (0.000335816% change) linmin: converged after 5 iterations. iteration 836: trace = 2.393498010031181 (0.000410616% change) linmin: converged after 3 iterations. iteration 837: trace = 2.39347915696342 (0.000787682% change) linmin: converged after 5 iterations. iteration 838: trace = 2.393462575335081 (0.000692786% change) large trace change predicted (0.00162483%) linmin: converged after 5 iterations. iteration 839: trace = 2.393423681459031 (0.00162502% change) resetting CG direction... linmin: converged after 6 iterations. iteration 840: trace = 2.393405115568863 (0.000775707% change) linmin: converged after 4 iterations. iteration 841: trace = 2.393387484580197 (0.000736651% change) linmin: converged after 3 iterations. iteration 842: trace = 2.393373052271423 (0.000603009% change) linmin: converged after 6 iterations. iteration 843: trace = 2.393363648720579 (0.0003929% change) linmin: converged after 5 iterations. iteration 844: trace = 2.39335279607273 (0.000453449% change) linmin: converged after 5 iterations. iteration 845: trace = 2.393350056619332 (0.000114461% change) large trace change predicted (0.000307718%) linmin: converged after 2 iterations. iteration 846: trace = 2.39334269182296 (0.00030772% change) linmin: converged after 4 iterations. iteration 847: trace = 2.39333978514298 (0.000121449% change) linmin: converged after 5 iterations. iteration 848: trace = 2.393336389633614 (0.000141873% change) linmin: converged after 11 iterations. iteration 849: trace = 2.393331725409005 (0.000194884% change) linmin: converged after 4 iterations. iteration 850: trace = 2.393330426532387 (5.42707e-05% change) large trace change predicted (0.000189012%) linmin: converged after 5 iterations. iteration 851: trace = 2.393325902836662 (0.000189013% change) linmin: converged after 7 iterations. iteration 852: trace = 2.393324249423585 (6.90844e-05% change) linmin: converged after 4 iterations. iteration 853: trace = 2.393321091128621 (0.000131963% change) linmin: converged after 7 iterations. iteration 854: trace = 2.393318973291421 (8.84895e-05% change) linmin: converged after 9 iterations. iteration 855: trace = 2.39331689215429 (8.69561e-05% change) linmin: converged after 6 iterations. iteration 856: trace = 2.393313259814242 (0.00015177% change) linmin: converged after 4 iterations. iteration 857: trace = 2.393311411974965 (7.72084e-05% change) large trace change predicted (0.00028915%) linmin: converged after 4 iterations. iteration 858: trace = 2.393304492637455 (0.000289112% change) linmin: converged after 9 iterations. iteration 859: trace = 2.393299307513729 (0.000216651% change) large trace change predicted (0.000478446%) linmin: converged after 6 iterations. iteration 860: trace = 2.393287857872363 (0.000478405% change) linmin: converged after 5 iterations. iteration 861: trace = 2.393278983601885 (0.000370799% change) linmin: converged after 6 iterations. iteration 862: trace = 2.393272730339596 (0.000261285% change) linmin: converged after 5 iterations. iteration 863: trace = 2.393262997943526 (0.000406657% change) linmin: converged after 5 iterations. iteration 864: trace = 2.393260613750453 (9.96211e-05% change) large trace change predicted (0.000270649%) linmin: converged after 5 iterations. iteration 865: trace = 2.393254136843605 (0.000270631% change) linmin: converged after 7 iterations. iteration 866: trace = 2.393253233050417 (3.77642e-05% change) large trace change predicted (0.000110807%) linmin: converged after 6 iterations. iteration 867: trace = 2.393250581278437 (0.000110802% change) linmin: converged after 5 iterations. iteration 868: trace = 2.393249949928006 (2.63805e-05% change) linmin: converged after 4 iterations. iteration 869: trace = 2.393248932621044 (4.25074e-05% change) linmin: converged after 12 iterations. iteration 870: trace = 2.393248027706529 (3.78111e-05% change) linmin: converged after 11 iterations. iteration 871: trace = 2.393247054053113 (4.06834e-05% change) large trace change predicted (0.000105892%) linmin: converged after 6 iterations. iteration 872: trace = 2.393244519928187 (0.000105887% change) linmin: converged after 4 iterations. iteration 873: trace = 2.393243134070017 (5.79071e-05% change) large trace change predicted (0.000181992%) linmin: converged after 5 iterations. iteration 874: trace = 2.39323877900173 (0.000181974% change) linmin: converged after 5 iterations. iteration 875: trace = 2.393236928818782 (7.73088e-05% change) large trace change predicted (0.000202725%) linmin: converged after 7 iterations. iteration 876: trace = 2.393232077430083 (0.000202713% change) linmin: converged after 11 iterations. iteration 877: trace = 2.393230189780414 (7.88745e-05% change) large trace change predicted (0.000205114%) linmin: converged after 16 iterations. iteration 878: trace = 2.393225281188233 (0.000205103% change) linmin: converged after 8 iterations. iteration 879: trace = 2.393223536857196 (7.28862e-05% change) large trace change predicted (0.000193548%) linmin: converged after 6 iterations. iteration 880: trace = 2.393218905027271 (0.00019354% change) linmin: converged after 5 iterations. iteration 881: trace = 2.393217928357876 (4.08099e-05% change) large trace change predicted (0.000111898%) linmin: converged after 10 iterations. iteration 882: trace = 2.39321525056278 (0.000111891% change) linmin: converged after 4 iterations. iteration 883: trace = 2.393214297603362 (3.98192e-05% change) large trace change predicted (0.000100542%) linmin: converged after 4 iterations. iteration 884: trace = 2.393211891441496 (0.000100541% change) linmin: converged after 5 iterations. iteration 885: trace = 2.393210765448982 (4.70494e-05% change) linmin: converged after 5 iterations. iteration 886: trace = 2.393209578563257 (4.95939e-05% change) linmin: converged after 4 iterations. iteration 887: trace = 2.393208067788717 (6.31276e-05% change) linmin: converged after 6 iterations. iteration 888: trace = 2.393207163739298 (3.77756e-05% change) linmin: converged after 4 iterations. iteration 889: trace = 2.393206210225428 (3.98425e-05% change) linmin: converged after 6 iterations. iteration 890: trace = 2.393205620764981 (2.46306e-05% change) linmin: converged after 5 iterations. iteration 891: trace = 2.393204821924488 (3.33795e-05% change) linmin: converged after 7 iterations. iteration 892: trace = 2.393204516875354 (1.27465e-05% change) large trace change predicted (4.06977e-05%) linmin: converged after 12 iterations. iteration 893: trace = 2.393203542908073 (4.06972e-05% change) linmin: converged after 17 iterations. iteration 894: trace = 2.393203194951746 (1.45394e-05% change) large trace change predicted (4.51107e-05%) linmin: converged after 4 iterations. iteration 895: trace = 2.393202115362762 (4.51106e-05% change) linmin: converged after 6 iterations. iteration 896: trace = 2.393201320617124 (3.32085e-05% change) linmin: converged after 14 iterations. iteration 897: trace = 2.393200410792266 (3.80171e-05% change) linmin: converged after 5 iterations. iteration 898: trace = 2.393199257685517 (4.81826e-05% change) linmin: converged after 4 iterations. iteration 899: trace = 2.393197154888216 (8.78656e-05% change) linmin: converged after 6 iterations. iteration 900: trace = 2.39319518729776 (8.2216e-05% change) linmin: converged after 5 iterations. iteration 901: trace = 2.393193707042187 (6.18527e-05% change) linmin: converged after 5 iterations. iteration 902: trace = 2.393191100584942 (0.000108911% change) linmin: converged after 4 iterations. iteration 903: trace = 2.393189985615146 (4.65893e-05% change) linmin: converged after 10 iterations. iteration 904: trace = 2.393188388822395 (6.67224e-05% change) linmin: converged after 5 iterations. iteration 905: trace = 2.393187785302304 (2.52182e-05% change) linmin: converged after 4 iterations. iteration 906: trace = 2.393186907432274 (3.6682e-05% change) linmin: converged after 4 iterations. iteration 907: trace = 2.393186452044547 (1.90285e-05% change) linmin: converged after 2 iterations. iteration 908: trace = 2.393185680393185 (3.22437e-05% change) linmin: converged after 5 iterations. iteration 909: trace = 2.39318537941922 (1.25763e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 910: trace = 2.393185104890131 (1.14713e-05% change) linmin: converged after 4 iterations. iteration 911: trace = 2.39318472064695 (1.60557e-05% change) linmin: converged after 7 iterations. iteration 912: trace = 2.393184358722816 (1.51231e-05% change) linmin: converged after 5 iterations. iteration 913: trace = 2.393184103097276 (1.06814e-05% change) linmin: converged after 5 iterations. iteration 914: trace = 2.393183625177018 (1.99701e-05% change) linmin: converged after 4 iterations. iteration 915: trace = 2.393183463082244 (6.77319e-06% change) large trace change predicted (1.98599e-05%) linmin: converged after 4 iterations. iteration 916: trace = 2.39318298778799 (1.98603e-05% change) linmin: converged after 4 iterations. iteration 917: trace = 2.393182811113641 (7.3824e-06% change) large trace change predicted (2.34685e-05%) linmin: converged after 20 iterations. iteration 918: trace = 2.393182249478131 (2.34681e-05% change) linmin: converged after 3 iterations. iteration 919: trace = 2.393181784706264 (1.94207e-05% change) linmin: converged after 6 iterations. iteration 920: trace = 2.393181586507471 (8.28181e-06% change) large trace change predicted (2.52965e-05%) linmin: converged after 4 iterations. iteration 921: trace = 2.393180981114643 (2.52966e-05% change) linmin: converged after 8 iterations. iteration 922: trace = 2.393180287587938 (2.89793e-05% change) linmin: converged after 6 iterations. iteration 923: trace = 2.393179237887281 (4.38622e-05% change) large trace change predicted (0.000108586%) linmin: converged after 4 iterations. iteration 924: trace = 2.393176639267796 (0.000108584% change) linmin: converged after 6 iterations. iteration 925: trace = 2.393175689933985 (3.96684e-05% change) large trace change predicted (0.000121581%) linmin: converged after 4 iterations. iteration 926: trace = 2.393172780317757 (0.00012158% change) linmin: converged after 4 iterations. iteration 927: trace = 2.393170617902778 (9.03577e-05% change) linmin: converged after 7 iterations. iteration 928: trace = 2.393169186500638 (5.9812e-05% change) large trace change predicted (0.00013309%) linmin: converged after 4 iterations. iteration 929: trace = 2.393166001277713 (0.000133097% change) linmin: converged after 6 iterations. iteration 930: trace = 2.393165506575726 (2.06714e-05% change) large trace change predicted (8.24347e-05%) linmin: converged after 6 iterations. iteration 931: trace = 2.393163533676927 (8.24389e-05% change) linmin: converged after 6 iterations. iteration 932: trace = 2.393163015605854 (2.1648e-05% change) linmin: converged after 6 iterations. iteration 933: trace = 2.393162401534973 (2.56594e-05% change) linmin: converged after 4 iterations. iteration 934: trace = 2.393161610711264 (3.30451e-05% change) linmin: converged after 8 iterations. iteration 935: trace = 2.3931612422839 (1.5395e-05% change) large trace change predicted (3.61429e-05%) linmin: converged after 5 iterations. iteration 936: trace = 2.39316037735075 (3.61419e-05% change) linmin: converged after 7 iterations. iteration 937: trace = 2.393160097193183 (1.17066e-05% change) large trace change predicted (3.87547e-05%) linmin: converged after 4 iterations. iteration 938: trace = 2.393159169731916 (3.87547e-05% change) linmin: converged after 5 iterations. iteration 939: trace = 2.393158879018346 (1.21477e-05% change) large trace change predicted (4.92943e-05%) linmin: converged after 6 iterations. iteration 940: trace = 2.393157699313794 (4.92949e-05% change) linmin: converged after 14 iterations. iteration 941: trace = 2.393157322529131 (1.57442e-05% change) large trace change predicted (3.53001e-05%) linmin: converged after 4 iterations. iteration 942: trace = 2.393156477742376 (3.53001e-05% change) linmin: converged after 7 iterations. iteration 943: trace = 2.393155459331345 (4.25551e-05% change) linmin: converged after 4 iterations. iteration 944: trace = 2.393154803738571 (2.73945e-05% change) large trace change predicted (8.1744e-05%) linmin: converged after 4 iterations. iteration 945: trace = 2.393152847456031 (8.1745e-05% change) linmin: converged after 4 iterations. iteration 946: trace = 2.393152020293721 (3.45637e-05% change) large trace change predicted (0.00016772%) linmin: converged after 10 iterations. iteration 947: trace = 2.393148006126211 (0.000167736% change) linmin: converged after 4 iterations. iteration 948: trace = 2.393146088300125 (8.01382e-05% change) linmin: converged after 17 iterations. iteration 949: trace = 2.393142425443258 (0.000153056% change) linmin: converged after 6 iterations. iteration 950: trace = 2.393140497311966 (8.0569e-05% change) linmin: converged after 6 iterations. iteration 951: trace = 2.393137701873924 (0.000116811% change) linmin: converged after 4 iterations. iteration 952: trace = 2.39313652680839 (4.91015e-05% change) linmin: converged after 5 iterations. iteration 953: trace = 2.393135251233119 (5.33014e-05% change) linmin: converged after 5 iterations. iteration 954: trace = 2.393134262481674 (4.13162e-05% change) linmin: converged after 6 iterations. iteration 955: trace = 2.393133898667135 (1.52024e-05% change) large trace change predicted (4.00099e-05%) linmin: converged after 6 iterations. iteration 956: trace = 2.393132941139929 (4.00114e-05% change) linmin: converged after 5 iterations. iteration 957: trace = 2.393132700698103 (1.00472e-05% change) large trace change predicted (2.14827e-05%) linmin: converged after 5 iterations. iteration 958: trace = 2.3931321865802 (2.14831e-05% change) linmin: converged after 4 iterations. iteration 959: trace = 2.39313190208319 (1.18881e-05% change) large trace change predicted (3.7965e-05%) linmin: converged after 4 iterations. iteration 960: trace = 2.393130993489121 (3.79667e-05% change) linmin: converged after 5 iterations. iteration 961: trace = 2.393130634261073 (1.50108e-05% change) large trace change predicted (6.73019e-05%) linmin: converged after 5 iterations. iteration 962: trace = 2.393129023623689 (6.73025e-05% change) linmin: converged after 6 iterations. iteration 963: trace = 2.393128384921147 (2.6689e-05% change) large trace change predicted (0.000116256%) linmin: converged after 5 iterations. iteration 964: trace = 2.393125602816447 (0.000116254% change) linmin: converged after 5 iterations. iteration 965: trace = 2.393124643916451 (4.00689e-05% change) large trace change predicted (0.000146164%) linmin: converged after 4 iterations. iteration 966: trace = 2.393121146111252 (0.000146161% change) linmin: converged after 7 iterations. iteration 967: trace = 2.393119902385385 (5.19709e-05% change) large trace change predicted (0.00011187%) linmin: converged after 7 iterations. iteration 968: trace = 2.393117225124435 (0.000111873% change) linmin: converged after 5 iterations. iteration 969: trace = 2.393115992993835 (5.14864e-05% change) linmin: converged after 4 iterations. iteration 970: trace = 2.393114381072769 (6.73566e-05% change) linmin: converged after 4 iterations. iteration 971: trace = 2.393112986681932 (5.82668e-05% change) linmin: converged after 4 iterations. iteration 972: trace = 2.393112419968244 (2.3681e-05% change) large trace change predicted (7.98599e-05%) linmin: converged after 4 iterations. iteration 973: trace = 2.393110508828397 (7.986e-05% change) linmin: converged after 8 iterations. iteration 974: trace = 2.393109751877164 (3.16304e-05% change) linmin: converged after 8 iterations. iteration 975: trace = 2.393109168736879 (2.43675e-05% change) linmin: converged after 6 iterations. iteration 976: trace = 2.393108146299122 (4.27243e-05% change) linmin: converged after 4 iterations. iteration 977: trace = 2.393107666439726 (2.00517e-05% change) large trace change predicted (4.37799e-05%) linmin: converged after 5 iterations. iteration 978: trace = 2.393106618732619 (4.37802e-05% change) linmin: converged after 8 iterations. iteration 979: trace = 2.393106133028552 (2.0296e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.393105408411126 (3.02794e-05% change) linmin: converged after 7 iterations. iteration 981: trace = 2.39310507471398 (1.39441e-05% change) large trace change predicted (3.32357e-05%) linmin: converged after 4 iterations. iteration 982: trace = 2.393104279316308 (3.32371e-05% change) linmin: converged after 4 iterations. iteration 983: trace = 2.393103585761066 (2.89814e-05% change) linmin: converged after 5 iterations. iteration 984: trace = 2.393103140583564 (1.86025e-05% change) large trace change predicted (4.35802e-05%) linmin: converged after 4 iterations. iteration 985: trace = 2.393102097644047 (4.35811e-05% change) linmin: converged after 4 iterations. iteration 986: trace = 2.393101791041935 (1.28119e-05% change) large trace change predicted (5.93494e-05%) linmin: converged after 4 iterations. iteration 987: trace = 2.393100370765308 (5.93488e-05% change) linmin: converged after 2 iterations. iteration 988: trace = 2.393098779527152 (6.64928e-05% change) linmin: converged after 5 iterations. iteration 989: trace = 2.393097744099759 (4.32672e-05% change) large trace change predicted (9.25893e-05%) linmin: converged after 5 iterations. iteration 990: trace = 2.39309552839456 (9.25874e-05% change) linmin: converged after 4 iterations. iteration 991: trace = 2.393094516082945 (4.23014e-05% change) linmin: converged after 5 iterations. iteration 992: trace = 2.393092768550718 (7.3024e-05% change) linmin: converged after 6 iterations. iteration 993: trace = 2.39309125395256 (6.32904e-05% change) linmin: converged after 5 iterations. iteration 994: trace = 2.393090663599907 (2.4669e-05% change) linmin: converged after 8 iterations. iteration 995: trace = 2.39308954923062 (4.65661e-05% change) linmin: converged after 11 iterations. iteration 996: trace = 2.393088733050472 (3.41057e-05% change) linmin: converged after 5 iterations. iteration 997: trace = 2.393087975843814 (3.16414e-05% change) linmin: converged after 6 iterations. iteration 998: trace = 2.39308684519365 (4.72465e-05% change) linmin: converged after 3 iterations. iteration 999: trace = 2.393086309572399 (2.2382e-05% change) linmin: converged after 9 iterations. iteration 1000: trace = 2.39308561722149 (2.89313e-05% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.393085264066048 (1.47573e-05% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.393084768675586 (2.07009e-05% change) linmin: converged after 5 iterations. iteration 1003: trace = 2.393084377596595 (1.6342e-05% change) linmin: converged after 4 iterations. iteration 1004: trace = 2.393084111521867 (1.11185e-05% change) linmin: converged after 10 iterations. iteration 1005: trace = 2.393083713869191 (1.66167e-05% change) linmin: converged after 7 iterations. iteration 1006: trace = 2.393083540616285 (7.23973e-06% change) large trace change predicted (1.5632e-05%) linmin: converged after 6 iterations. iteration 1007: trace = 2.393083166529018 (1.5632e-05% change) linmin: converged after 13 iterations. iteration 1008: trace = 2.393082573723732 (2.47716e-05% change) linmin: converged after 4 iterations. iteration 1009: trace = 2.393081899081429 (2.81914e-05% change) large trace change predicted (6.79597e-05%) linmin: converged after 8 iterations. iteration 1010: trace = 2.39308027291222 (6.7953e-05% change) linmin: converged after 9 iterations. iteration 1011: trace = 2.39307961656112 (2.7427e-05% change) large trace change predicted (6.42399e-05%) linmin: converged after 6 iterations. iteration 1012: trace = 2.39307807939469 (6.42338e-05% change) linmin: converged after 9 iterations. iteration 1013: trace = 2.393077640130087 (1.83556e-05% change) linmin: converged after 11 iterations. iteration 1014: trace = 2.393076866253701 (3.23381e-05% change) linmin: converged after 5 iterations. iteration 1015: trace = 2.393076425914664 (1.84005e-05% change) linmin: converged after 5 iterations. iteration 1016: trace = 2.393076198388803 (9.50767e-06% change) linmin: converged after 7 iterations. iteration 1017: trace = 2.393075826752791 (1.55296e-05% change) linmin: converged after 4 iterations. iteration 1018: trace = 2.393075736916499 (3.75401e-06% change) large trace change predicted (8.6737e-06%) linmin: converged after 4 iterations. iteration 1019: trace = 2.393075529347435 (8.67374e-06% change) linmin: converged after 4 iterations. iteration 1020: trace = 2.393075452128583 (3.22676e-06% change) large trace change predicted (6.72403e-06%) linmin: converged after 9 iterations. iteration 1021: trace = 2.393075291219564 (6.72394e-06% change) linmin: converged after 4 iterations. iteration 1022: trace = 2.393075104146846 (7.81725e-06% change) linmin: converged after 9 iterations. iteration 1023: trace = 2.393074989514615 (4.79016e-06% change) large trace change predicted (1.62932e-05%) linmin: converged after 7 iterations. iteration 1024: trace = 2.393074599626484 (1.62924e-05% change) linmin: converged after 5 iterations. iteration 1025: trace = 2.393074477878166 (5.08753e-06% change) large trace change predicted (1.5366e-05%) linmin: converged after 4 iterations. iteration 1026: trace = 2.393074110166243 (1.53657e-05% change) linmin: converged after 5 iterations. iteration 1027: trace = 2.393073868715027 (1.00896e-05% change) linmin: converged after 6 iterations. iteration 1028: trace = 2.393073537651396 (1.38342e-05% change) linmin: converged after 6 iterations. iteration 1029: trace = 2.393073038547836 (2.08562e-05% change) linmin: converged after 5 iterations. iteration 1030: trace = 2.393072730246598 (1.28831e-05% change) large trace change predicted (2.63603e-05%) linmin: converged after 2 iterations. iteration 1031: trace = 2.393072099423292 (2.63604e-05% change) linmin: converged after 4 iterations. iteration 1032: trace = 2.393071811505607 (1.20313e-05% change) linmin: converged after 5 iterations. iteration 1033: trace = 2.393071356697167 (1.90052e-05% change) linmin: converged after 5 iterations. iteration 1034: trace = 2.393071044750952 (1.30354e-05% change) linmin: converged after 6 iterations. iteration 1035: trace = 2.393070636771494 (1.70484e-05% change) linmin: converged after 4 iterations. iteration 1036: trace = 2.393070393186056 (1.01788e-05% change) linmin: converged after 5 iterations. iteration 1037: trace = 2.393070296626706 (4.03496e-06% change) linmin: converged after 6 iterations. iteration 1038: trace = 2.393070135588805 (6.72934e-06% change) linmin: converged after 15 iterations. iteration 1039: trace = 2.393070088497435 (1.96782e-06% change) linmin: converged after 4 iterations. iteration 1040: trace = 2.39307001252999 (3.17448e-06% change) linmin: converged after 6 iterations. iteration 1041: trace = 2.393069973024599 (1.65082e-06% change) linmin: converged after 7 iterations. iteration 1042: trace = 2.393069939283417 (1.40995e-06% change) large trace change predicted (4.47857e-06%) linmin: converged after 4 iterations. iteration 1043: trace = 2.393069832106951 (4.47862e-06% change) linmin: converged after 4 iterations. iteration 1044: trace = 2.393069750575104 (3.407e-06% change) large trace change predicted (1.00071e-05%) linmin: converged after 4 iterations. iteration 1045: trace = 2.393069511094528 (1.00073e-05% change) linmin: converged after 5 iterations. iteration 1046: trace = 2.393069384874413 (5.2744e-06% change) linmin: converged after 11 iterations. iteration 1047: trace = 2.393069191090362 (8.09772e-06% change) linmin: converged after 4 iterations. iteration 1048: trace = 2.393069045943824 (6.06529e-06% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.393068885405095 (6.70849e-06% change) resetting CG direction... linmin: converged after 8 iterations. iteration 1050: trace = 2.393068797582665 (3.66987e-06% change) linmin: converged after 4 iterations. iteration 1051: trace = 2.3930686896634 (4.50966e-06% change) large trace change predicted (1.013e-05%) linmin: converged after 5 iterations. iteration 1052: trace = 2.393068447254756 (1.01296e-05% change) linmin: converged after 16 iterations. iteration 1053: trace = 2.393068324446136 (5.13185e-06% change) linmin: converged after 4 iterations. iteration 1054: trace = 2.393068106838812 (9.09324e-06% change) linmin: converged after 4 iterations. iteration 1055: trace = 2.393067972085918 (5.63097e-06% change) linmin: converged after 5 iterations. iteration 1056: trace = 2.393067904155274 (2.83864e-06% change) linmin: converged after 6 iterations. iteration 1057: trace = 2.393067845237474 (2.46202e-06% change) linmin: converged after 4 iterations. iteration 1058: trace = 2.393067820599857 (1.02954e-06% change) large trace change predicted (2.41431e-06%) linmin: converged after 4 iterations. iteration 1059: trace = 2.393067762823389 (2.41433e-06% change) linmin: converged after 4 iterations. iteration 1060: trace = 2.393067731338104 (1.31569e-06% change) large trace change predicted (4.93973e-06%) linmin: converged after 5 iterations. iteration 1061: trace = 2.393067613127838 (4.9397e-06% change) linmin: converged after 4 iterations. iteration 1062: trace = 2.393067545959263 (2.8068e-06% change) large trace change predicted (8.22892e-06%) linmin: converged after 14 iterations. iteration 1063: trace = 2.393067349039073 (8.22878e-06% change) linmin: converged after 4 iterations. iteration 1064: trace = 2.393067085939666 (1.09942e-05% change) linmin: converged after 5 iterations. iteration 1065: trace = 2.393066765458573 (1.33921e-05% change) linmin: converged after 4 iterations. iteration 1066: trace = 2.393066340144999 (1.77727e-05% change) linmin: converged after 3 iterations. iteration 1067: trace = 2.393066114210605 (9.44121e-06% change) linmin: converged after 5 iterations. iteration 1068: trace = 2.393065738404264 (1.5704e-05% change) linmin: converged after 4 iterations. iteration 1069: trace = 2.393065585555435 (6.38716e-06% change) large trace change predicted (1.79379e-05%) linmin: converged after 4 iterations. iteration 1070: trace = 2.393065156288049 (1.7938e-05% change) linmin: converged after 5 iterations. iteration 1071: trace = 2.393065043373153 (4.71842e-06% change) large trace change predicted (1.7151e-05%) linmin: converged after 4 iterations. iteration 1072: trace = 2.393064632943794 (1.71508e-05% change) linmin: converged after 5 iterations. iteration 1073: trace = 2.393064551457124 (3.40512e-06% change) large trace change predicted (8.82483e-06%) linmin: converged after 17 iterations. iteration 1074: trace = 2.393064340270135 (8.82496e-06% change) linmin: converged after 5 iterations. iteration 1075: trace = 2.393064206927486 (5.57205e-06% change) linmin: converged after 5 iterations. iteration 1076: trace = 2.393064013664398 (8.07597e-06% change) linmin: converged after 8 iterations. iteration 1077: trace = 2.393063922909969 (3.79239e-06% change) linmin: converged after 5 iterations. iteration 1078: trace = 2.393063794900609 (5.34918e-06% change) linmin: converged after 10 iterations. iteration 1079: trace = 2.393063706445484 (3.69631e-06% change) linmin: converged after 4 iterations. iteration 1080: trace = 2.393063617055931 (3.73536e-06% change) linmin: converged after 12 iterations. iteration 1081: trace = 2.393063520950228 (4.01601e-06% change) linmin: converged after 5 iterations. iteration 1082: trace = 2.393063462359116 (2.44837e-06% change) large trace change predicted (7.45357e-06%) linmin: converged after 4 iterations. iteration 1083: trace = 2.393063283988459 (7.45365e-06% change) linmin: converged after 4 iterations. iteration 1084: trace = 2.393063214349416 (2.91004e-06% change) large trace change predicted (1.48112e-05%) linmin: converged after 4 iterations. iteration 1085: trace = 2.393062859912222 (1.4811e-05% change) linmin: converged after 5 iterations. iteration 1086: trace = 2.39306270702652 (6.3887e-06% change) large trace change predicted (1.71414e-05%) linmin: converged after 4 iterations. iteration 1087: trace = 2.393062296815013 (1.71417e-05% change) linmin: converged after 5 iterations. iteration 1088: trace = 2.393062001500545 (1.23404e-05% change) linmin: converged after 11 iterations. iteration 1089: trace = 2.393061453276778 (2.29089e-05% change) linmin: converged after 9 iterations. iteration 1090: trace = 2.393060958592743 (2.06716e-05% change) linmin: converged after 5 iterations. iteration 1091: trace = 2.393060501812436 (1.90877e-05% change) linmin: converged after 9 iterations. iteration 1092: trace = 2.393060005782613 (2.07278e-05% change) linmin: converged after 4 iterations. iteration 1093: trace = 2.393059801324332 (8.5438e-06% change) linmin: converged after 4 iterations. iteration 1094: trace = 2.393059470501143 (1.38243e-05% change) linmin: converged after 5 iterations. iteration 1095: trace = 2.393059392111977 (3.27569e-06% change) large trace change predicted (8.01226e-06%) linmin: converged after 5 iterations. iteration 1096: trace = 2.393059200370047 (8.01242e-06% change) linmin: converged after 5 iterations. iteration 1097: trace = 2.393059151619481 (2.03717e-06% change) large trace change predicted (5.32251e-06%) linmin: converged after 4 iterations. iteration 1098: trace = 2.393059024249351 (5.32248e-06% change) linmin: converged after 5 iterations. iteration 1099: trace = 2.393058936845288 (3.6524e-06% change) large trace change predicted (8.09134e-06%) linmin: converged after 5 iterations. iteration 1100: trace = 2.393058743210688 (8.09151e-06% change) linmin: converged after 4 iterations. iteration 1101: trace = 2.393058661118171 (3.43044e-06% change) large trace change predicted (1.2446e-05%) linmin: converged after 5 iterations. iteration 1102: trace = 2.393058363275026 (1.24461e-05% change) linmin: converged after 4 iterations. iteration 1103: trace = 2.393058264109546 (4.14388e-06% change) large trace change predicted (1.70208e-05%) linmin: converged after 4 iterations. iteration 1104: trace = 2.393057856778068 (1.70214e-05% change) linmin: converged after 4 iterations. iteration 1105: trace = 2.393057703745627 (6.39485e-06% change) linmin: converged after 5 iterations. iteration 1106: trace = 2.39305741759457 (1.19576e-05% change) linmin: converged after 7 iterations. iteration 1107: trace = 2.393057291518621 (5.2684e-06% change) large trace change predicted (2.15438e-05%) linmin: converged after 4 iterations. iteration 1108: trace = 2.3930567759544 (2.15442e-05% change) linmin: converged after 4 iterations. iteration 1109: trace = 2.393056644954168 (5.47418e-06% change) large trace change predicted (1.3534e-05%) linmin: converged after 6 iterations. iteration 1110: trace = 2.393056321070726 (1.35343e-05% change) linmin: converged after 15 iterations. iteration 1111: trace = 2.39305606714622 (1.06109e-05% change) linmin: converged after 4 iterations. iteration 1112: trace = 2.393055768215537 (1.24916e-05% change) linmin: converged after 7 iterations. iteration 1113: trace = 2.393055453816739 (1.3138e-05% change) linmin: converged after 4 iterations. iteration 1114: trace = 2.393055103309919 (1.46468e-05% change) linmin: converged after 5 iterations. iteration 1115: trace = 2.393054651992351 (1.88595e-05% change) linmin: converged after 4 iterations. iteration 1116: trace = 2.393054410690455 (1.00834e-05% change) large trace change predicted (2.23024e-05%) linmin: converged after 8 iterations. iteration 1117: trace = 2.393053876970401 (2.23029e-05% change) linmin: converged after 7 iterations. iteration 1118: trace = 2.393053708973663 (7.02018e-06% change) linmin: converged after 6 iterations. iteration 1119: trace = 2.393053449362253 (1.08485e-05% change) resetting CG direction... linmin: converged after 12 iterations. iteration 1120: trace = 2.393053338630513 (4.62722e-06% change) linmin: converged after 6 iterations. iteration 1121: trace = 2.393053278192376 (2.52557e-06% change) large trace change predicted (6.78865e-06%) linmin: converged after 7 iterations. iteration 1122: trace = 2.393053115737622 (6.7886e-06% change) linmin: converged after 9 iterations. iteration 1123: trace = 2.393053059493341 (2.35031e-06% change) large trace change predicted (6.29464e-06%) linmin: converged after 4 iterations. iteration 1124: trace = 2.393052908861089 (6.29456e-06% change) linmin: converged after 13 iterations. iteration 1125: trace = 2.393052788230572 (5.04086e-06% change) linmin: converged after 7 iterations. iteration 1126: trace = 2.393052724365132 (2.66879e-06% change) large trace change predicted (9.07411e-06%) linmin: converged after 4 iterations. iteration 1127: trace = 2.393052507214528 (9.07421e-06% change) large trace change predicted (1.82908e-05%) linmin: converged after 15 iterations. iteration 1128: trace = 2.393052069502665 (1.82909e-05% change) linmin: converged after 9 iterations. iteration 1129: trace = 2.393051781455266 (1.20368e-05% change) large trace change predicted (3.29054e-05%) linmin: converged after 4 iterations. iteration 1130: trace = 2.393050994026515 (3.29048e-05% change) linmin: converged after 5 iterations. iteration 1131: trace = 2.393050355121608 (2.66983e-05% change) linmin: converged after 4 iterations. iteration 1132: trace = 2.393050139311895 (9.01819e-06% change) linmin: converged after 7 iterations. iteration 1133: trace = 2.393049807900433 (1.38489e-05% change) linmin: converged after 4 iterations. iteration 1134: trace = 2.393049718612149 (3.73115e-06% change) linmin: converged after 4 iterations. iteration 1135: trace = 2.393049608732691 (4.59161e-06% change) linmin: converged after 2 iterations. iteration 1136: trace = 2.393049514510508 (3.93733e-06% change) linmin: converged after 4 iterations. iteration 1137: trace = 2.393049489393691 (1.04957e-06% change) large trace change predicted (3.42808e-06%) linmin: converged after 3 iterations. iteration 1138: trace = 2.393049407358174 (3.42807e-06% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.393049358179133 (2.05508e-06% change) linmin: converged after 4 iterations. iteration 1140: trace = 2.393049269049165 (3.72454e-06% change) linmin: converged after 6 iterations. iteration 1141: trace = 2.393049127843714 (5.90065e-06% change) linmin: converged after 7 iterations. iteration 1142: trace = 2.393049012275727 (4.82932e-06% change) linmin: converged after 4 iterations. iteration 1143: trace = 2.39304880179368 (8.79556e-06% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.393048595301143 (8.62885e-06% change) linmin: converged after 5 iterations. iteration 1145: trace = 2.393048415677995 (7.50604e-06% change) linmin: converged after 16 iterations. iteration 1146: trace = 2.393048200316697 (8.99945e-06% change) linmin: converged after 6 iterations. iteration 1147: trace = 2.393048138081941 (2.60065e-06% change) linmin: converged after 5 iterations. iteration 1148: trace = 2.393048025233473 (4.71568e-06% change) linmin: converged after 7 iterations. iteration 1149: trace = 2.393047907156093 (4.93418e-06% change) linmin: converged after 8 iterations. iteration 1150: trace = 2.393047815237385 (3.84107e-06% change) linmin: converged after 4 iterations. iteration 1151: trace = 2.393047669225173 (6.10152e-06% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.393047627278368 (1.75286e-06% change) large trace change predicted (4.19604e-06%) linmin: converged after 5 iterations. iteration 1153: trace = 2.393047526866294 (4.19599e-06% change) linmin: converged after 4 iterations. iteration 1154: trace = 2.393047498187344 (1.19843e-06% change) large trace change predicted (2.95792e-06%) linmin: converged after 4 iterations. iteration 1155: trace = 2.393047427403416 (2.9579e-06% change) linmin: converged after 7 iterations. iteration 1156: trace = 2.393047388926141 (1.60788e-06% change) linmin: converged after 9 iterations. iteration 1157: trace = 2.393047366961978 (9.17832e-07% change) linmin: converged after 9 iterations. iteration 1158: trace = 2.393047327755996 (1.63833e-06% change) linmin: converged after 4 iterations. iteration 1159: trace = 2.393047314610991 (5.493e-07% change) large trace change predicted (2.11287e-06%) linmin: converged after 10 iterations. iteration 1160: trace = 2.393047264050015 (2.11283e-06% change) linmin: converged after 14 iterations. iteration 1161: trace = 2.393047244834078 (8.0299e-07% change) large trace change predicted (2.77494e-06%) linmin: converged after 12 iterations. iteration 1162: trace = 2.3930471784303 (2.77486e-06% change) linmin: converged after 7 iterations. iteration 1163: trace = 2.393047102068465 (3.19099e-06% change) linmin: converged after 4 iterations. iteration 1164: trace = 2.393047049645346 (2.19064e-06% change) large trace change predicted (7.11506e-06%) linmin: converged after 6 iterations. iteration 1165: trace = 2.393046879377919 (7.11509e-06% change) linmin: converged after 4 iterations. iteration 1166: trace = 2.393046812736729 (2.78478e-06% change) large trace change predicted (7.81865e-06%) linmin: converged after 4 iterations. iteration 1167: trace = 2.393046625632446 (7.81866e-06% change) linmin: converged after 4 iterations. iteration 1168: trace = 2.393046584214094 (1.73078e-06% change) large trace change predicted (3.73024e-06%) linmin: converged after 4 iterations. iteration 1169: trace = 2.393046494947384 (3.73025e-06% change) linmin: converged after 4 iterations. iteration 1170: trace = 2.393046441847596 (2.21892e-06% change) linmin: converged after 7 iterations. iteration 1171: trace = 2.393046409562349 (1.34913e-06% change) linmin: converged after 4 iterations. iteration 1172: trace = 2.393046371570184 (1.58761e-06% change) linmin: converged after 5 iterations. iteration 1173: trace = 2.393046357535429 (5.86481e-07% change) large trace change predicted (1.50004e-06%) linmin: converged after 4 iterations. iteration 1174: trace = 2.393046321638705 (1.50004e-06% change) linmin: converged after 7 iterations. iteration 1175: trace = 2.393046309331633 (5.14285e-07% change) large trace change predicted (1.44273e-06%) linmin: converged after 7 iterations. iteration 1176: trace = 2.393046274806624 (1.44272e-06% change) linmin: converged after 9 iterations. iteration 1177: trace = 2.393046259299046 (6.48027e-07% change) linmin: converged after 4 iterations. iteration 1178: trace = 2.393046241225202 (7.55265e-07% change) linmin: converged after 4 iterations. iteration 1179: trace = 2.393046225270313 (6.66719e-07% change) linmin: converged after 4 iterations. iteration 1180: trace = 2.39304622093361 (1.81221e-07% change) large trace change predicted (1.74088e-06%) linmin: converged after 9 iterations. iteration 1181: trace = 2.393046179273064 (1.7409e-06% change) linmin: converged after 3 iterations. iteration 1182: trace = 2.393046160787419 (7.72473e-07% change) large trace change predicted (3.98954e-06%) linmin: converged after 4 iterations. iteration 1183: trace = 2.393046065315987 (3.98954e-06% change) large trace change predicted (1.06965e-05%) linmin: converged after 4 iterations. iteration 1184: trace = 2.393045809347706 (1.06963e-05% change) linmin: converged after 5 iterations. iteration 1185: trace = 2.393045615643675 (8.09446e-06% change) large trace change predicted (3.62948e-05%) linmin: converged after 4 iterations. iteration 1186: trace = 2.393044747144229 (3.62926e-05% change) linmin: converged after 4 iterations. iteration 1187: trace = 2.393044219801622 (2.20365e-05% change) linmin: converged after 5 iterations. iteration 1188: trace = 2.393043279417542 (3.92966e-05% change) linmin: converged after 4 iterations. iteration 1189: trace = 2.393042737403359 (2.26496e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1190: trace = 2.393042599088335 (5.77988e-06% change) linmin: converged after 5 iterations. iteration 1191: trace = 2.393042402386295 (8.21975e-06% change) linmin: converged after 4 iterations. iteration 1192: trace = 2.393042227334446 (7.31503e-06% change) linmin: converged after 5 iterations. iteration 1193: trace = 2.393042120256053 (4.47457e-06% change) linmin: converged after 4 iterations. iteration 1194: trace = 2.393041943813864 (7.37313e-06% change) linmin: converged after 4 iterations. iteration 1195: trace = 2.393041893891832 (2.08613e-06% change) large trace change predicted (5.567e-06%) linmin: converged after 10 iterations. iteration 1196: trace = 2.393041760668367 (5.56712e-06% change) linmin: converged after 6 iterations. iteration 1197: trace = 2.393041736084757 (1.0273e-06% change) large trace change predicted (2.50016e-06%) linmin: converged after 4 iterations. iteration 1198: trace = 2.393041676253991 (2.5002e-06% change) linmin: converged after 3 iterations. iteration 1199: trace = 2.393041657618816 (7.78723e-07% change) linmin: converged after 6 iterations. iteration 1200: trace = 2.39304162877717 (1.20523e-06% change) linmin: converged after 4 iterations. iteration 1201: trace = 2.393041608478774 (8.48226e-07% change) linmin: converged after 5 iterations. iteration 1202: trace = 2.393041590282404 (7.60387e-07% change) linmin: converged after 4 iterations. iteration 1203: trace = 2.39304156783528 (9.38016e-07% change) linmin: converged after 7 iterations. iteration 1204: trace = 2.393041545885692 (9.17226e-07% change) linmin: converged after 9 iterations. iteration 1205: trace = 2.393041534634016 (4.70183e-07% change) large trace change predicted (9.99626e-07%) linmin: converged after 4 iterations. iteration 1206: trace = 2.393041510712555 (9.99626e-07% change) linmin: converged after 4 iterations. iteration 1207: trace = 2.393041492352127 (7.67242e-07% change) linmin: converged after 7 iterations. iteration 1208: trace = 2.393041466906392 (1.06332e-06% change) linmin: converged after 5 iterations. iteration 1209: trace = 2.393041431867086 (1.46422e-06% change) linmin: converged after 4 iterations. iteration 1210: trace = 2.393041384389324 (1.98399e-06% change) linmin: converged after 5 iterations. iteration 1211: trace = 2.393041347400914 (1.54567e-06% change) linmin: converged after 7 iterations. iteration 1212: trace = 2.393041286076871 (2.5626e-06% change) linmin: converged after 10 iterations. iteration 1213: trace = 2.393041257578179 (1.1909e-06% change) linmin: converged after 4 iterations. iteration 1214: trace = 2.393041216324351 (1.72391e-06% change) linmin: converged after 5 iterations. iteration 1215: trace = 2.393041192986994 (9.75217e-07% change) linmin: converged after 4 iterations. iteration 1216: trace = 2.393041175882895 (7.14743e-07% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.393041157620839 (7.63132e-07% change) linmin: converged after 4 iterations. iteration 1218: trace = 2.393041150215218 (3.09465e-07% change) large trace change predicted (7.5486e-07%) linmin: converged after 15 iterations. iteration 1219: trace = 2.393041132151025 (7.54863e-07% change) linmin: converged after 4 iterations. iteration 1220: trace = 2.393041125360071 (2.83779e-07% change) large trace change predicted (5.78665e-07%) linmin: converged after 4 iterations. iteration 1221: trace = 2.393041111512872 (5.78644e-07% change) linmin: converged after 5 iterations. iteration 1222: trace = 2.393041107699379 (1.59358e-07% change) large trace change predicted (4.49596e-07%) linmin: converged after 4 iterations. iteration 1223: trace = 2.393041096940677 (4.49583e-07% change) linmin: converged after 8 iterations. iteration 1224: trace = 2.393041092556548 (1.83203e-07% change) linmin: converged after 4 iterations. iteration 1225: trace = 2.393041087252632 (2.21639e-07% change) linmin: converged after 4 iterations. iteration 1226: trace = 2.393041077644104 (4.0152e-07% change) linmin: converged after 4 iterations. iteration 1227: trace = 2.393041072495382 (2.15154e-07% change) large trace change predicted (7.31257e-07%) linmin: converged after 4 iterations. iteration 1228: trace = 2.393041054996275 (7.3125e-07% change) linmin: converged after 4 iterations. iteration 1229: trace = 2.393041049144413 (2.44537e-07% change) large trace change predicted (1.22695e-06%) linmin: converged after 4 iterations. iteration 1230: trace = 2.393041019782627 (1.22697e-06% change) linmin: converged after 4 iterations. iteration 1231: trace = 2.393040994021066 (1.07652e-06% change) linmin: converged after 4 iterations. iteration 1232: trace = 2.393040965503337 (1.19169e-06% change) linmin: converged after 4 iterations. iteration 1233: trace = 2.393040917530605 (2.00468e-06% change) linmin: converged after 5 iterations. iteration 1234: trace = 2.393040882598135 (1.45975e-06% change) linmin: converged after 8 iterations. iteration 1235: trace = 2.393040831127231 (2.15086e-06% change) linmin: converged after 6 iterations. iteration 1236: trace = 2.393040817126887 (5.85044e-07% change) linmin: converged after 7 iterations. iteration 1237: trace = 2.393040790864621 (1.09744e-06% change) linmin: converged after 5 iterations. iteration 1238: trace = 2.393040782478634 (3.50432e-07% change) linmin: converged after 4 iterations. iteration 1239: trace = 2.393040774564519 (3.30714e-07% change) linmin: converged after 5 iterations. iteration 1240: trace = 2.393040766523573 (3.36014e-07% change) linmin: converged after 5 iterations. iteration 1241: trace = 2.393040763475046 (1.27391e-07% change) large trace change predicted (4.11701e-07%) linmin: converged after 6 iterations. iteration 1242: trace = 2.393040753622446 (4.11719e-07% change) linmin: converged after 4 iterations. iteration 1243: trace = 2.393040751112796 (1.04873e-07% change) large trace change predicted (3.51594e-07%) linmin: converged after 4 iterations. iteration 1244: trace = 2.393040742699466 (3.51575e-07% change) linmin: converged after 4 iterations. iteration 1245: trace = 2.393040738479548 (1.76341e-07% change) large trace change predicted (4.9236e-07%) linmin: converged after 4 iterations. iteration 1246: trace = 2.393040726697247 (4.92357e-07% change) linmin: converged after 3 iterations. iteration 1247: trace = 2.393040718671797 (3.35366e-07% change) large trace change predicted (7.81181e-07%) linmin: converged after 3 iterations. iteration 1248: trace = 2.393040699978033 (7.81172e-07% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.393040689032302 (4.57398e-07% change) large trace change predicted (9.97381e-07%) linmin: converged after 4 iterations. iteration 1250: trace = 2.39304066516463 (9.97378e-07% change) linmin: converged after 5 iterations. iteration 1251: trace = 2.393040658651178 (2.72183e-07% change) linmin: converged after 4 iterations. iteration 1252: trace = 2.39304064631178 (5.15637e-07% change) linmin: converged after 4 iterations. iteration 1253: trace = 2.393040640193402 (2.55674e-07% change) linmin: converged after 4 iterations. iteration 1254: trace = 2.393040634137428 (2.53066e-07% change) linmin: converged after 9 iterations. iteration 1255: trace = 2.393040627635198 (2.71714e-07% change) linmin: converged after 4 iterations. iteration 1256: trace = 2.39304061805447 (4.00358e-07% change) linmin: converged after 4 iterations. iteration 1257: trace = 2.3930406125236 (2.31123e-07% change) large trace change predicted (5.83415e-07%) linmin: converged after 4 iterations. iteration 1258: trace = 2.393040598562227 (5.83416e-07% change) linmin: converged after 18 iterations. iteration 1259: trace = 2.393040594932613 (1.51674e-07% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1260: trace = 2.393040591922031 (1.25806e-07% change) linmin: converged after 4 iterations. iteration 1261: trace = 2.393040587940637 (1.66374e-07% change) linmin: converged after 16 iterations. iteration 1262: trace = 2.393040585059226 (1.20408e-07% change) linmin: converged after 16 iterations. iteration 1263: trace = 2.393040584057858 (4.1845e-08% change) large trace change predicted (9.93197e-08%) linmin: converged after 4 iterations. iteration 1264: trace = 2.393040581681225 (9.93143e-08% change) linmin: converged after 8 iterations. iteration 1265: trace = 2.393040580003531 (7.01072e-08% change) large trace change predicted (1.56946e-07%) linmin: converged after 4 iterations. iteration 1266: trace = 2.393040576248151 (1.56929e-07% change) large trace change predicted (3.92003e-07%) linmin: converged after 4 iterations. iteration 1267: trace = 2.393040566867092 (3.92014e-07% change) linmin: converged after 4 iterations. iteration 1268: trace = 2.393040561155621 (2.3867e-07% change) large trace change predicted (5.63657e-07%) linmin: converged after 6 iterations. iteration 1269: trace = 2.39304054766674 (5.63671e-07% change) linmin: converged after 4 iterations. iteration 1270: trace = 2.393040537466312 (4.26254e-07% change) linmin: converged after 3 iterations. iteration 1271: trace = 2.393040531145878 (2.64117e-07% change) large trace change predicted (6.79399e-07%) linmin: converged after 7 iterations. iteration 1272: trace = 2.39304051488736 (6.79408e-07% change) linmin: converged after 16 iterations. iteration 1273: trace = 2.393040511432996 (1.4435e-07% change) large trace change predicted (6.55763e-07%) linmin: converged after 8 iterations. iteration 1274: trace = 2.393040495740514 (6.55755e-07% change) linmin: converged after 9 iterations. iteration 1275: trace = 2.393040488091222 (3.19647e-07% change) linmin: converged after 12 iterations. iteration 1276: trace = 2.393040481940264 (2.57035e-07% change) linmin: converged after 4 iterations. iteration 1277: trace = 2.393040471320629 (4.43772e-07% change) linmin: converged after 6 iterations. iteration 1278: trace = 2.393040466759533 (1.90598e-07% change) large trace change predicted (4.82667e-07%) linmin: converged after 3 iterations. iteration 1279: trace = 2.3930404552098 (4.82638e-07% change) linmin: converged after 13 iterations. iteration 1280: trace = 2.393040447513647 (3.21606e-07% change) linmin: converged after 5 iterations. iteration 1281: trace = 2.393040443452108 (1.69723e-07% change) linmin: converged after 4 iterations. iteration 1282: trace = 2.393040436753862 (2.79905e-07% change) linmin: converged after 8 iterations. iteration 1283: trace = 2.393040434083364 (1.11594e-07% change) linmin: converged after 4 iterations. iteration 1284: trace = 2.393040428956495 (2.14241e-07% change) linmin: converged after 4 iterations. iteration 1285: trace = 2.393040420514249 (3.52783e-07% change) linmin: converged after 4 iterations. iteration 1286: trace = 2.393040414323853 (2.58683e-07% change) large trace change predicted (6.68675e-07%) linmin: converged after 4 iterations. iteration 1287: trace = 2.393040398322218 (6.68674e-07% change) linmin: converged after 4 iterations. iteration 1288: trace = 2.393040390123251 (3.42617e-07% change) large trace change predicted (1.0531e-06%) linmin: converged after 4 iterations. iteration 1289: trace = 2.39304036492184 (1.05311e-06% change) linmin: converged after 13 iterations. iteration 1290: trace = 2.39304034821497 (6.98144e-07% change) linmin: converged after 4 iterations. iteration 1291: trace = 2.393040329392738 (7.86541e-07% change) linmin: converged after 4 iterations. iteration 1292: trace = 2.393040292277735 (1.55096e-06% change) linmin: converged after 4 iterations. iteration 1293: trace = 2.393040284307002 (3.3308e-07% change) large trace change predicted (8.4494e-07%) linmin: converged after 4 iterations. iteration 1294: trace = 2.393040264087597 (8.44925e-07% change) linmin: converged after 20 iterations. iteration 1295: trace = 2.393040260584644 (1.46381e-07% change) large trace change predicted (3.73343e-07%) linmin: converged after 9 iterations. iteration 1296: trace = 2.393040251650058 (3.73357e-07% change) linmin: converged after 4 iterations. iteration 1297: trace = 2.393040247377961 (1.78522e-07% change) linmin: converged after 5 iterations. iteration 1298: trace = 2.393040243897438 (1.45444e-07% change) linmin: converged after 4 iterations. iteration 1299: trace = 2.393040238340959 (2.32193e-07% change) linmin: converged after 4 iterations. iteration 1300: trace = 2.393040235602324 (1.14442e-07% change) large trace change predicted (2.88794e-07%) linmin: converged after 4 iterations. iteration 1301: trace = 2.393040228691014 (2.88809e-07% change) linmin: converged after 4 iterations. iteration 1302: trace = 2.393040226375979 (9.67403e-08% change) large trace change predicted (2.55227e-07%) linmin: converged after 16 iterations. iteration 1303: trace = 2.393040220268541 (2.55217e-07% change) linmin: converged after 15 iterations. iteration 1304: trace = 2.393040217557445 (1.13291e-07% change) linmin: converged after 8 iterations. iteration 1305: trace = 2.393040214085735 (1.45075e-07% change) large trace change predicted (3.4679e-07%) linmin: converged after 21 iterations. iteration 1306: trace = 2.393040205786973 (3.46787e-07% change) linmin: converged after 24 iterations. iteration 1307: trace = 2.393040201617004 (1.74254e-07% change) large trace change predicted (6.64821e-07%) linmin: converged after 6 iterations. iteration 1308: trace = 2.393040185707664 (6.64817e-07% change) linmin: converged after 4 iterations. iteration 1309: trace = 2.39304017949077 (2.59791e-07% change) large trace change predicted (9.9652e-07%) linmin: converged after 4 iterations. iteration 1310: trace = 2.39304015564406 (9.96503e-07% change) linmin: converged after 4 iterations. iteration 1311: trace = 2.393040129321176 (1.09998e-06% change) linmin: converged after 4 iterations. iteration 1312: trace = 2.39304011348353 (6.61821e-07% change) linmin: converged after 4 iterations. iteration 1313: trace = 2.393040085179949 (1.18275e-06% change) linmin: converged after 6 iterations. iteration 1314: trace = 2.393040078908566 (2.62068e-07% change) large trace change predicted (5.76837e-07%) linmin: converged after 5 iterations. iteration 1315: trace = 2.393040065104904 (5.76825e-07% change) linmin: converged after 4 iterations. iteration 1316: trace = 2.393040058807305 (2.63163e-07% change) linmin: converged after 4 iterations. iteration 1317: trace = 2.393040052678877 (2.56094e-07% change) linmin: converged after 18 iterations. iteration 1318: trace = 2.393040046372886 (2.63514e-07% change) linmin: converged after 4 iterations. iteration 1319: trace = 2.393040043415809 (1.2357e-07% change) linmin: converged after 4 iterations. iteration 1320: trace = 2.393040037901248 (2.30442e-07% change) linmin: converged after 4 iterations. iteration 1321: trace = 2.393040028454478 (3.9476e-07% change) linmin: converged after 4 iterations. iteration 1322: trace = 2.393040023724526 (1.97655e-07% change) large trace change predicted (1.60001e-06%) linmin: converged after 7 iterations. iteration 1323: trace = 2.393039985435815 (1.6e-06% change) linmin: converged after 4 iterations. iteration 1324: trace = 2.393039953751825 (1.32401e-06% change) linmin: converged after 5 iterations. iteration 1325: trace = 2.393039896415481 (2.39596e-06% change) linmin: converged after 4 iterations. iteration 1326: trace = 2.393039802288667 (3.93336e-06% change) linmin: converged after 4 iterations. iteration 1327: trace = 2.393039763158167 (1.63518e-06% change) large trace change predicted (5.00377e-06%) linmin: converged after 9 iterations. iteration 1328: trace = 2.393039643415605 (5.00379e-06% change) linmin: converged after 4 iterations. iteration 1329: trace = 2.393039623267705 (8.41938e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1330: trace = 2.393039609822717 (5.61837e-07% change) large trace change predicted (1.13568e-06%) linmin: converged after 4 iterations. iteration 1331: trace = 2.393039582645316 (1.13569e-06% change) linmin: converged after 4 iterations. iteration 1332: trace = 2.393039573860623 (3.67094e-07% change) linmin: converged after 4 iterations. iteration 1333: trace = 2.393039563015565 (4.53192e-07% change) linmin: converged after 3 iterations. iteration 1334: trace = 2.39303955478726 (3.43843e-07% change) linmin: converged after 4 iterations. iteration 1335: trace = 2.39303955078808 (1.67117e-07% change) linmin: converged after 5 iterations. iteration 1336: trace = 2.393039543243282 (3.15281e-07% change) linmin: converged after 4 iterations. iteration 1337: trace = 2.393039539778174 (1.44799e-07% change) linmin: converged after 4 iterations. iteration 1338: trace = 2.393039538123945 (6.91267e-08% change) linmin: converged after 6 iterations. iteration 1339: trace = 2.39303953581896 (9.63204e-08% change) linmin: converged after 18 iterations. iteration 1340: trace = 2.393039535319188 (2.08844e-08% change) large trace change predicted (4.7335e-08%) linmin: converged after 11 iterations. iteration 1341: trace = 2.393039534186671 (4.73255e-08% change) linmin: converged after 3 iterations. iteration 1342: trace = 2.393039533196041 (4.13963e-08% change) linmin: converged after 7 iterations. iteration 1343: trace = 2.393039532656055 (2.25649e-08% change) large trace change predicted (1.01945e-07%) linmin: converged after 5 iterations. iteration 1344: trace = 2.393039530216486 (1.01944e-07% change) linmin: converged after 3 iterations. iteration 1345: trace = 2.393039528100334 (8.84295e-08% change) large trace change predicted (3.03562e-07%) linmin: converged after 4 iterations. iteration 1346: trace = 2.393039520836308 (3.03548e-07% change) linmin: converged after 10 iterations. iteration 1347: trace = 2.393039515054721 (2.416e-07% change) linmin: converged after 4 iterations. iteration 1348: trace = 2.393039510174468 (2.03935e-07% change) linmin: converged after 11 iterations. iteration 1349: trace = 2.39303950271593 (3.11676e-07% change) linmin: converged after 4 iterations. iteration 1350: trace = 2.393039500623782 (8.74264e-08% change) large trace change predicted (1.88064e-07%) linmin: converged after 4 iterations. iteration 1351: trace = 2.39303949612386 (1.88042e-07% change) linmin: converged after 4 iterations. iteration 1352: trace = 2.393039494292914 (7.65113e-08% change) linmin: converged after 5 iterations. iteration 1353: trace = 2.3930394926673 (6.79309e-08% change) linmin: converged after 4 iterations. iteration 1354: trace = 2.39303949170889 (4.00499e-08% change) linmin: converged after 9 iterations. iteration 1355: trace = 2.393039491206349 (2.10001e-08% change) linmin: converged after 10 iterations. iteration 1356: trace = 2.393039490355017 (3.55754e-08% change) linmin: converged after 4 iterations. iteration 1357: trace = 2.393039489933826 (1.76006e-08% change) linmin: converged after 5 iterations. iteration 1358: trace = 2.393039489340706 (2.47852e-08% change) large trace change predicted (5.16307e-08%) linmin: converged after 3 iterations. iteration 1359: trace = 2.393039488105176 (5.16302e-08% change) linmin: converged after 5 iterations. iteration 1360: trace = 2.393039487604143 (2.09371e-08% change) large trace change predicted (5.05885e-08%) linmin: converged after 18 iterations. iteration 1361: trace = 2.393039486393418 (5.05936e-08% change) linmin: converged after 4 iterations. iteration 1362: trace = 2.393039485788538 (2.52766e-08% change) large trace change predicted (6.4874e-08%) linmin: converged after 8 iterations. iteration 1363: trace = 2.393039484236021 (6.48764e-08% change) linmin: converged after 21 iterations. iteration 1364: trace = 2.393039483069603 (4.87421e-08% change) linmin: converged after 4 iterations. iteration 1365: trace = 2.393039482607761 (1.92994e-08% change) large trace change predicted (7.57794e-08%) linmin: converged after 18 iterations. iteration 1366: trace = 2.393039480793948 (7.57954e-08% change) linmin: converged after 2 iterations. iteration 1367: trace = 2.393039480282915 (2.1355e-08% change) large trace change predicted (8.41514e-08%) linmin: converged after 6 iterations. iteration 1368: trace = 2.393039478269401 (8.41404e-08% change) linmin: converged after 11 iterations. iteration 1369: trace = 2.393039477163438 (4.62158e-08% change) linmin: converged after 4 iterations. iteration 1370: trace = 2.393039475739719 (5.94941e-08% change) linmin: converged after 4 iterations. iteration 1371: trace = 2.393039474218904 (6.35516e-08% change) linmin: converged after 10 iterations. iteration 1372: trace = 2.393039473843267 (1.5697e-08% change) large trace change predicted (5.50417e-08%) linmin: converged after 4 iterations. iteration 1373: trace = 2.393039472525563 (5.50641e-08% change) linmin: converged after 3 iterations. iteration 1374: trace = 2.393039472370247 (6.49031e-09% change) linmin: converged after 4 iterations. iteration 1375: trace = 2.393039472067853 (1.26364e-08% change) linmin: converged after 3 iterations. iteration 1376: trace = 2.393039471845058 (9.31011e-09% change) linmin: converged after 4 iterations. iteration 1377: trace = 2.393039471732648 (4.6974e-09% change) large trace change predicted (1.37591e-08%) linmin: converged after 6 iterations. iteration 1378: trace = 2.393039471402922 (1.37785e-08% change) linmin: converged after 3 iterations. iteration 1379: trace = 2.393039471287548 (4.82123e-09% change) large trace change predicted (1.83603e-08%) linmin: converged after 3 iterations. iteration 1380: trace = 2.393039470848444 (1.83492e-08% change) linmin: converged after 5 iterations. iteration 1381: trace = 2.393039470575392 (1.14103e-08% change) linmin: converged after 4 iterations. iteration 1382: trace = 2.393039470295364 (1.17018e-08% change) linmin: converged after 4 iterations. iteration 1383: trace = 2.393039469747588 (2.28904e-08% change) linmin: converged after 4 iterations. iteration 1384: trace = 2.393039469544791 (8.47449e-09% change) large trace change predicted (1.93941e-08%) linmin: converged after 4 iterations. iteration 1385: trace = 2.393039469080956 (1.93826e-08% change) linmin: converged after 4 iterations. iteration 1386: trace = 2.39303946875125 (1.37777e-08% change) linmin: converged after 4 iterations. iteration 1387: trace = 2.393039468307938 (1.8525e-08% change) linmin: converged after 9 iterations. iteration 1388: trace = 2.393039467881245 (1.78306e-08% change) linmin: converged after 13 iterations. iteration 1389: trace = 2.393039467657967 (9.33028e-09% change) linmin: converged after 5 iterations. iteration 1390: trace = 2.393039467224408 (1.81175e-08% change) linmin: converged after 12 iterations. iteration 1391: trace = 2.39303946696081 (1.10152e-08% change) linmin: converged after 5 iterations. iteration 1392: trace = 2.393039466656905 (1.26995e-08% change) linmin: converged after 3 iterations. iteration 1393: trace = 2.39303946648832 (7.04483e-09% change) linmin: converged after 6 iterations. iteration 1394: trace = 2.393039466414278 (3.09404e-09% change) linmin: converged after 3 iterations. iteration 1395: trace = 2.393039466296477 (4.92265e-09% change) linmin: converged after 3 iterations. iteration 1396: trace = 2.393039466255088 (1.72956e-09% change) linmin: converged after 4 iterations. iteration 1397: trace = 2.393039466183581 (2.98813e-09% change) linmin: converged after 4 iterations. iteration 1398: trace = 2.393039466124971 (2.44921e-09% change) linmin: converged after 3 iterations. iteration 1399: trace = 2.393039466066323 (2.45075e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1400: trace = 2.39303946602812 (1.59643e-09% change) linmin: converged after 3 iterations. iteration 1401: trace = 2.393039465981308 (1.95619e-09% change) linmin: converged after 4 iterations. iteration 1402: trace = 2.393039465920151 (2.5556e-09% change) linmin: converged after 3 iterations. iteration 1403: trace = 2.393039465875074 (1.8837e-09% change) linmin: converged after 4 iterations. iteration 1404: trace = 2.393039465786271 (3.71088e-09% change) linmin: converged after 4 iterations. iteration 1405: trace = 2.393039465641782 (6.03786e-09% change) linmin: converged after 4 iterations. iteration 1406: trace = 2.393039465558295 (3.48876e-09% change) large trace change predicted (1.22609e-08%) linmin: converged after 12 iterations. iteration 1407: trace = 2.393039465265055 (1.22539e-08% change) linmin: converged after 9 iterations. iteration 1408: trace = 2.393039465171424 (3.91263e-09% change) large trace change predicted (1.1182e-08%) linmin: converged after 4 iterations. iteration 1409: trace = 2.39303946490415 (1.11688e-08% change) linmin: converged after 3 iterations. iteration 1410: trace = 2.393039464709695 (8.12584e-09% change) linmin: converged after 3 iterations. iteration 1411: trace = 2.393039464489587 (9.19786e-09% change) large trace change predicted (2.08938e-08%) linmin: converged after 10 iterations. iteration 1412: trace = 2.393039463989469 (2.08988e-08% change) linmin: converged after 6 iterations. iteration 1413: trace = 2.39303946385769 (5.50678e-09% change) large trace change predicted (1.47422e-08%) linmin: converged after 6 iterations. iteration 1414: trace = 2.393039463505013 (1.47376e-08% change) linmin: converged after 3 iterations. iteration 1415: trace = 2.393039463381322 (5.16876e-09% change) linmin: converged after 4 iterations. iteration 1416: trace = 2.39303946313953 (1.0104e-08% change) linmin: converged after 7 iterations. iteration 1417: trace = 2.393039462965616 (7.2675e-09% change) linmin: converged after 4 iterations. iteration 1418: trace = 2.393039462871008 (3.95346e-09% change) large trace change predicted (1.18257e-08%) linmin: converged after 4 iterations. iteration 1419: trace = 2.393039462587763 (1.18362e-08% change) linmin: converged after 6 iterations. iteration 1420: trace = 2.393039462504758 (3.46861e-09% change) large trace change predicted (8.8686e-09%) linmin: converged after 6 iterations. iteration 1421: trace = 2.393039462292899 (8.85313e-09% change) linmin: converged after 4 iterations. iteration 1422: trace = 2.393039462162155 (5.46351e-09% change) linmin: converged after 4 iterations. iteration 1423: trace = 2.393039462091666 (2.94558e-09% change) large trace change predicted (6.72486e-09%) linmin: converged after 3 iterations. iteration 1424: trace = 2.393039461930451 (6.73683e-09% change) linmin: converged after 12 iterations. iteration 1425: trace = 2.393039461735832 (8.13271e-09% change) large trace change predicted (1.98639e-08%) linmin: converged after 5 iterations. iteration 1426: trace = 2.393039461260243 (1.98738e-08% change) linmin: converged after 9 iterations. iteration 1427: trace = 2.393039460745867 (2.14947e-08% change) linmin: converged after 10 iterations. iteration 1428: trace = 2.393039460053682 (2.89249e-08% change) linmin: converged after 6 iterations. iteration 1429: trace = 2.393039459345241 (2.96042e-08% change) linmin: converged after 4 iterations. iteration 1430: trace = 2.39303945890499 (1.83971e-08% change) linmin: converged after 12 iterations. iteration 1431: trace = 2.393039458367822 (2.24471e-08% change) linmin: converged after 5 iterations. iteration 1432: trace = 2.393039458154201 (8.92679e-09% change) large trace change predicted (2.42021e-08%) linmin: converged after 15 iterations. iteration 1433: trace = 2.393039457575704 (2.41741e-08% change) linmin: converged after 4 iterations. iteration 1434: trace = 2.393039457425642 (6.27076e-09% change) large trace change predicted (1.75032e-08%) linmin: converged after 5 iterations. iteration 1435: trace = 2.393039457006938 (1.74968e-08% change) linmin: converged after 7 iterations. iteration 1436: trace = 2.39303945682898 (7.43647e-09% change) large trace change predicted (1.59691e-08%) linmin: converged after 4 iterations. iteration 1437: trace = 2.393039456446143 (1.59979e-08% change) linmin: converged after 4 iterations. iteration 1438: trace = 2.393039456234103 (8.8607e-09% change) linmin: converged after 6 iterations. iteration 1439: trace = 2.393039456005249 (9.56331e-09% change) linmin: converged after 10 iterations. iteration 1440: trace = 2.39303945582179 (7.6664e-09% change) linmin: converged after 3 iterations. iteration 1441: trace = 2.39303945563629 (7.75165e-09% change) linmin: converged after 5 iterations. iteration 1442: trace = 2.393039455397894 (9.96202e-09% change) linmin: converged after 5 iterations. iteration 1443: trace = 2.393039455309238 (3.70477e-09% change) large trace change predicted (9.83025e-09%) linmin: converged after 4 iterations. iteration 1444: trace = 2.39303945507373 (9.84138e-09% change) linmin: converged after 4 iterations. iteration 1445: trace = 2.39303945499654 (3.2256e-09% change) large trace change predicted (1.02249e-08%) linmin: converged after 5 iterations. iteration 1446: trace = 2.393039454751739 (1.02297e-08% change) linmin: converged after 3 iterations. iteration 1447: trace = 2.393039454618974 (5.54798e-09% change) linmin: converged after 7 iterations. iteration 1448: trace = 2.393039454392558 (9.46143e-09% change) linmin: converged after 4 iterations. iteration 1449: trace = 2.39303945418209 (8.79503e-09% change) linmin: converged after 4 iterations. iteration 1450: trace = 2.393039453856248 (1.36162e-08% change) linmin: converged after 4 iterations. iteration 1451: trace = 2.393039453414782 (1.84479e-08% change) linmin: converged after 3 iterations. iteration 1452: trace = 2.393039453015146 (1.66999e-08% change) large trace change predicted (4.76363e-08%) linmin: converged after 4 iterations. iteration 1453: trace = 2.39303945187574 (4.76133e-08% change) linmin: converged after 15 iterations. iteration 1454: trace = 2.393039451480129 (1.65317e-08% change) large trace change predicted (6.32972e-08%) linmin: converged after 4 iterations. iteration 1455: trace = 2.393039449964565 (6.33322e-08% change) linmin: converged after 5 iterations. iteration 1456: trace = 2.393039449198147 (3.2027e-08% change) linmin: converged after 4 iterations. iteration 1457: trace = 2.393039447852569 (5.62289e-08% change) linmin: converged after 4 iterations. iteration 1458: trace = 2.393039447436007 (1.74072e-08% change) large trace change predicted (3.97948e-08%) linmin: converged after 4 iterations. iteration 1459: trace = 2.393039446483697 (3.9795e-08% change) linmin: converged after 6 iterations. iteration 1460: trace = 2.393039446340915 (5.96655e-09% change) large trace change predicted (1.43592e-08%) linmin: converged after 3 iterations. iteration 1461: trace = 2.39303944599667 (1.43853e-08% change) linmin: converged after 3 iterations. iteration 1462: trace = 2.393039445886972 (4.58403e-09% change) linmin: converged after 3 iterations. iteration 1463: trace = 2.393039445720285 (6.96552e-09% change) linmin: converged after 4 iterations. iteration 1464: trace = 2.393039445511035 (8.74409e-09% change) linmin: converged after 6 iterations. iteration 1465: trace = 2.393039445416688 (3.94257e-09% change) large trace change predicted (1.64515e-08%) linmin: converged after 5 iterations. iteration 1466: trace = 2.393039445022723 (1.6463e-08% change) linmin: converged after 13 iterations. iteration 1467: trace = 2.393039444870471 (6.36227e-09% change) large trace change predicted (2.1897e-08%) linmin: converged after 3 iterations. iteration 1468: trace = 2.393039444347036 (2.18732e-08% change) linmin: converged after 4 iterations. iteration 1469: trace = 2.393039443927873 (1.75159e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1470: trace = 2.393039443696205 (9.68091e-09% change) linmin: converged after 4 iterations. iteration 1471: trace = 2.393039443417635 (1.16408e-08% change) linmin: converged after 3 iterations. iteration 1472: trace = 2.393039443266917 (6.29817e-09% change) linmin: converged after 6 iterations. iteration 1473: trace = 2.393039443079354 (7.83787e-09% change) linmin: converged after 3 iterations. iteration 1474: trace = 2.393039442824786 (1.06379e-08% change) linmin: converged after 4 iterations. iteration 1475: trace = 2.393039442729083 (3.99921e-09% change) large trace change predicted (1.32667e-08%) linmin: converged after 3 iterations. iteration 1476: trace = 2.393039442411624 (1.32659e-08% change) linmin: converged after 3 iterations. iteration 1477: trace = 2.393039442207525 (8.52886e-09% change) linmin: converged after 3 iterations. iteration 1478: trace = 2.393039442076791 (5.46308e-09% change) linmin: converged after 4 iterations. iteration 1479: trace = 2.393039441852431 (9.37551e-09% change) linmin: converged after 10 iterations. iteration 1480: trace = 2.393039441746656 (4.42013e-09% change) large trace change predicted (1.21079e-08%) linmin: converged after 12 iterations. iteration 1481: trace = 2.393039441456735 (1.21152e-08% change) linmin: converged after 4 iterations. iteration 1482: trace = 2.393039441058596 (1.66374e-08% change) linmin: converged after 4 iterations. iteration 1483: trace = 2.393039440815489 (1.01589e-08% change) large trace change predicted (2.46899e-08%) linmin: converged after 7 iterations. iteration 1484: trace = 2.393039440224691 (2.46882e-08% change) linmin: converged after 4 iterations. iteration 1485: trace = 2.393039440043449 (7.5737e-09% change) large trace change predicted (2.91552e-08%) linmin: converged after 3 iterations. iteration 1486: trace = 2.393039439345372 (2.91712e-08% change) linmin: converged after 4 iterations. iteration 1487: trace = 2.393039439101507 (1.01906e-08% change) linmin: converged after 3 iterations. iteration 1488: trace = 2.393039438879157 (9.2915e-09% change) linmin: converged after 9 iterations. iteration 1489: trace = 2.393039438577511 (1.26052e-08% change) linmin: converged after 3 iterations. iteration 1490: trace = 2.393039438518748 (2.45555e-09% change) large trace change predicted (7.82687e-09%) linmin: converged after 4 iterations. iteration 1491: trace = 2.393039438331153 (7.83922e-09% change) linmin: converged after 4 iterations. iteration 1492: trace = 2.393039438299597 (1.31866e-09% change) large trace change predicted (3.9119e-09%) linmin: converged after 3 iterations. iteration 1493: trace = 2.393039438206274 (3.89976e-09% change) linmin: converged after 5 iterations. iteration 1494: trace = 2.393039438146447 (2.50003e-09% change) linmin: converged after 3 iterations. iteration 1495: trace = 2.393039438110618 (1.49722e-09% change) large trace change predicted (4.25856e-09%) linmin: converged after 4 iterations. iteration 1496: trace = 2.393039438008898 (4.25068e-09% change) linmin: converged after 3 iterations. iteration 1497: trace = 2.393039437975519 (1.3948e-09% change) large trace change predicted (4.44448e-09%) linmin: converged after 6 iterations. iteration 1498: trace = 2.39303943786884 (4.45789e-09% change) linmin: converged after 3 iterations. iteration 1499: trace = 2.393039437809841 (2.46546e-09% change) linmin: converged after 3 iterations. iteration 1500: trace = 2.393039437718511 (3.81649e-09% change) linmin: converged after 3 iterations. iteration 1501: trace = 2.393039437618042 (4.19838e-09% change) linmin: converged after 4 iterations. iteration 1502: trace = 2.393039437573418 (1.86472e-09% change) large trace change predicted (4.86514e-09%) linmin: converged after 3 iterations. iteration 1503: trace = 2.393039437457045 (4.86298e-09% change) linmin: converged after 3 iterations. iteration 1504: trace = 2.393039437395128 (2.58738e-09% change) large trace change predicted (5.31426e-09%) linmin: converged after 3 iterations. iteration 1505: trace = 2.393039437267895 (5.31681e-09% change) linmin: converged after 5 iterations. iteration 1506: trace = 2.393039437130794 (5.72914e-09% change) linmin: converged after 5 iterations. iteration 1507: trace = 2.39303943700992 (5.05107e-09% change) linmin: converged after 7 iterations. iteration 1508: trace = 2.393039436837956 (7.18602e-09% change) linmin: converged after 4 iterations. iteration 1509: trace = 2.393039436766644 (2.97997e-09% change) linmin: converged after 6 iterations. iteration 1510: trace = 2.393039436663416 (4.3137e-09% change) linmin: converged after 4 iterations. iteration 1511: trace = 2.393039436606301 (2.3867e-09% change) linmin: converged after 3 iterations. iteration 1512: trace = 2.393039436559436 (1.95838e-09% change) linmin: converged after 4 iterations. iteration 1513: trace = 2.393039436531788 (1.15536e-09% change) linmin: converged after 4 iterations. iteration 1514: trace = 2.39303943652235 (3.94403e-10% change) linmin: converged after 3 iterations. iteration 1515: trace = 2.393039436505972 (6.84383e-10% change) linmin: converged after 3 iterations. iteration 1516: trace = 2.393039436491387 (6.09485e-10% change) linmin: converged after 3 iterations. iteration 1517: trace = 2.393039436477074 (5.98091e-10% change) large trace change predicted (2.19489e-09%) linmin: converged after 4 iterations. iteration 1518: trace = 2.393039436424389 (2.20163e-09% change) linmin: converged after 3 iterations. iteration 1519: trace = 2.393039436409354 (6.28265e-10% change) large trace change predicted (2.63321e-09%) linmin: converged after 3 iterations. iteration 1520: trace = 2.393039436346096 (2.64341e-09% change) linmin: converged after 6 iterations. iteration 1521: trace = 2.39303943628137 (2.70476e-09% change) linmin: converged after 3 iterations. iteration 1522: trace = 2.393039436250783 (1.27817e-09% change) large trace change predicted (2.65064e-09%) linmin: converged after 3 iterations. iteration 1523: trace = 2.39303943618764 (2.6386e-09% change) linmin: converged after 4 iterations. iteration 1524: trace = 2.393039436140074 (1.98768e-09% change) linmin: converged after 6 iterations. iteration 1525: trace = 2.393039436097698 (1.77082e-09% change) linmin: converged after 3 iterations. iteration 1526: trace = 2.393039436045584 (2.17773e-09% change) linmin: converged after 4 iterations. iteration 1527: trace = 2.393039436036344 (3.86127e-10% change) large trace change predicted (1.11284e-09%) linmin: converged after 4 iterations. iteration 1528: trace = 2.393039436009628 (1.11638e-09% change) linmin: converged after 3 iterations. iteration 1529: trace = 2.393039435994219 (6.43909e-10% change) linmin: converged after 4 iterations. iteration 1530: trace = 2.393039435986611 (3.17928e-10% change) large trace change predicted (1.00456e-09%) linmin: converged after 4 iterations. iteration 1531: trace = 2.393039435962254 (1.01784e-09% change) linmin: converged after 3 iterations. iteration 1532: trace = 2.393039435954682 (3.16406e-10% change) linmin: converged after 3 iterations. iteration 1533: trace = 2.393039435940461 (5.94287e-10% change) linmin: converged after 4 iterations. iteration 1534: trace = 2.393039435920199 (8.46688e-10% change) linmin: converged after 4 iterations. iteration 1535: trace = 2.393039435912987 (3.01356e-10% change) linmin: converged after 3 iterations. iteration 1536: trace = 2.393039435900064 (5.40061e-10% change) large trace change predicted (1.15615e-09%) linmin: converged after 3 iterations. iteration 1537: trace = 2.393039435872635 (1.14617e-09% change) linmin: converged after 3 iterations. iteration 1538: trace = 2.39303943584822 (1.02027e-09% change) large trace change predicted (4.72403e-09%) linmin: converged after 4 iterations. iteration 1539: trace = 2.393039435735048 (4.7292e-09% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1540: trace = 2.39303943568339 (2.15867e-09% change) linmin: converged after 6 iterations. iteration 1541: trace = 2.393039435642796 (1.69636e-09% change) linmin: converged after 5 iterations. iteration 1542: trace = 2.393039435623175 (8.19891e-10% change) linmin: converged after 3 iterations. iteration 1543: trace = 2.3930394356026 (8.59789e-10% change) linmin: converged after 4 iterations. iteration 1544: trace = 2.393039435582844 (8.25569e-10% change) linmin: converged after 4 iterations. iteration 1545: trace = 2.393039435576564 (2.62441e-10% change) large trace change predicted (6.35584e-10%) linmin: converged after 3 iterations. iteration 1546: trace = 2.393039435561248 (6.40012e-10% change) linmin: converged after 3 iterations. iteration 1547: trace = 2.393039435553018 (3.43927e-10% change) linmin: converged after 3 iterations. iteration 1548: trace = 2.393039435544742 (3.45801e-10% change) linmin: converged after 3 iterations. iteration 1549: trace = 2.393039435531422 (5.56652e-10% change) linmin: converged after 4 iterations. iteration 1550: trace = 2.39303943552262 (3.6781e-10% change) large trace change predicted (8.07233e-10%) linmin: converged after 3 iterations. iteration 1551: trace = 2.393039435503385 (8.03783e-10% change) linmin: converged after 4 iterations. iteration 1552: trace = 2.393039435489037 (5.99576e-10% change) linmin: converged after 3 iterations. iteration 1553: trace = 2.3930394354794 (4.02699e-10% change) large trace change predicted (1.3629e-09%) linmin: converged after 5 iterations. iteration 1554: trace = 2.393039435446662 (1.36806e-09% change) linmin: converged after 4 iterations. iteration 1555: trace = 2.393039435433729 (5.40451e-10% change) large trace change predicted (1.62619e-09%) linmin: converged after 3 iterations. iteration 1556: trace = 2.39303943539486 (1.62423e-09% change) linmin: converged after 3 iterations. iteration 1557: trace = 2.393039435345351 (2.06889e-09% change) linmin: converged after 4 iterations. iteration 1558: trace = 2.393039435330192 (6.33443e-10% change) large trace change predicted (2.4151e-09%) linmin: converged after 4 iterations. iteration 1559: trace = 2.393039435272267 (2.42057e-09% change) linmin: converged after 3 iterations. iteration 1560: trace = 2.393039435254703 (7.33951e-10% change) large trace change predicted (2.09165e-09%) linmin: converged after 4 iterations. iteration 1561: trace = 2.393039435204187 (2.11096e-09% change) linmin: converged after 4 iterations. iteration 1562: trace = 2.393039435178564 (1.07073e-09% change) linmin: converged after 3 iterations. iteration 1563: trace = 2.393039435164397 (5.92004e-10% change) linmin: converged after 3 iterations. iteration 1564: trace = 2.393039435139678 (1.03297e-09% change) linmin: converged after 3 iterations. iteration 1565: trace = 2.393039435134069 (2.344e-10% change) large trace change predicted (6.48778e-10%) linmin: converged after 3 iterations. iteration 1566: trace = 2.393039435119263 (6.1869e-10% change) linmin: converged after 4 iterations. iteration 1567: trace = 2.393039435104017 (6.37117e-10% change) linmin: converged after 3 iterations. iteration 1568: trace = 2.393039435088688 (6.40569e-10% change) large trace change predicted (1.33097e-09%) linmin: converged after 3 iterations. iteration 1569: trace = 2.393039435057263 (1.31317e-09% change) linmin: converged after 4 iterations. iteration 1570: trace = 2.393039435039293 (7.50949e-10% change) linmin: converged after 5 iterations. iteration 1571: trace = 2.393039435007069 (1.34653e-09% change) linmin: converged after 3 iterations. iteration 1572: trace = 2.393039434974606 (1.35657e-09% change) linmin: converged after 4 iterations. iteration 1573: trace = 2.39303943492787 (1.95301e-09% change) linmin: converged after 3 iterations. iteration 1574: trace = 2.39303943486527 (2.61591e-09% change) linmin: converged after 3 iterations. iteration 1575: trace = 2.393039434836111 (1.21849e-09% change) linmin: converged after 5 iterations. iteration 1576: trace = 2.393039434778656 (2.40094e-09% change) linmin: converged after 3 iterations. iteration 1577: trace = 2.393039434740974 (1.57463e-09% change) large trace change predicted (3.19517e-09%) linmin: converged after 3 iterations. iteration 1578: trace = 2.393039434663811 (3.22448e-09% change) linmin: converged after 4 iterations. iteration 1579: trace = 2.393039434596315 (2.82052e-09% change) linmin: converged after 3 iterations. iteration 1580: trace = 2.393039434510111 (3.60226e-09% change) linmin: converged after 3 iterations. iteration 1581: trace = 2.393039434439973 (2.93092e-09% change) linmin: converged after 4 iterations. iteration 1582: trace = 2.393039434408256 (1.3254e-09% change) linmin: converged after 3 iterations. iteration 1583: trace = 2.393039434371349 (1.54226e-09% change) linmin: converged after 4 iterations. iteration 1584: trace = 2.39303943435523 (6.73583e-10% change) linmin: converged after 3 iterations. iteration 1585: trace = 2.393039434332239 (9.60742e-10% change) linmin: converged after 3 iterations. iteration 1586: trace = 2.393039434316207 (6.69946e-10% change) linmin: converged after 3 iterations. iteration 1587: trace = 2.393039434297657 (7.75148e-10% change) linmin: converged after 3 iterations. iteration 1588: trace = 2.393039434268349 (1.22474e-09% change) linmin: converged after 3 iterations. iteration 1589: trace = 2.393039434250205 (7.58205e-10% change) large trace change predicted (2.24692e-09%) linmin: converged after 3 iterations. iteration 1590: trace = 2.393039434196285 (2.25318e-09% change) linmin: converged after 3 iterations. iteration 1591: trace = 2.39303943416177 (1.44229e-09% change) large trace change predicted (3.72528e-09%) linmin: converged after 3 iterations. iteration 1592: trace = 2.39303943407254 (3.72875e-09% change) linmin: converged after 4 iterations. iteration 1593: trace = 2.393039433965267 (4.4827e-09% change) linmin: converged after 3 iterations. iteration 1594: trace = 2.393039433847403 (4.9253e-09% change) linmin: converged after 6 iterations. iteration 1595: trace = 2.393039433637334 (8.77833e-09% change) linmin: converged after 3 iterations. iteration 1596: trace = 2.393039433565766 (2.99066e-09% change) linmin: converged after 4 iterations. iteration 1597: trace = 2.393039433441212 (5.20487e-09% change) linmin: converged after 3 iterations. iteration 1598: trace = 2.393039433389837 (2.14685e-09% change) linmin: converged after 4 iterations. iteration 1599: trace = 2.393039433323687 (2.76426e-09% change) linmin: converged after 5 iterations. iteration 1600: trace = 2.393039433269642 (2.25842e-09% change) linmin: converged after 3 iterations. iteration 1601: trace = 2.39303943323196 (1.57464e-09% change) linmin: converged after 3 iterations. iteration 1602: trace = 2.393039433196507 (1.48154e-09% change) linmin: converged after 3 iterations. iteration 1603: trace = 2.393039433178688 (7.44621e-10% change) linmin: converged after 3 iterations. iteration 1604: trace = 2.393039433147767 (1.29209e-09% change) linmin: converged after 4 iterations. iteration 1605: trace = 2.393039433124735 (9.62487e-10% change) linmin: converged after 4 iterations. iteration 1606: trace = 2.393039433078691 (1.92408e-09% change) linmin: converged after 3 iterations. iteration 1607: trace = 2.393039433049508 (1.21947e-09% change) linmin: converged after 3 iterations. iteration 1608: trace = 2.393039433023919 (1.06932e-09% change) linmin: converged after 4 iterations. iteration 1609: trace = 2.393039432987025 (1.54172e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1610: trace = 2.393039432977463 (3.99562e-10% change) large trace change predicted (8.81947e-10%) linmin: converged after 5 iterations. iteration 1611: trace = 2.393039432956454 (8.7792e-10% change) linmin: converged after 3 iterations. iteration 1612: trace = 2.393039432928459 (1.16987e-09% change) linmin: converged after 3 iterations. iteration 1613: trace = 2.39303943290598 (9.39327e-10% change) large trace change predicted (1.95651e-09%) linmin: converged after 6 iterations. iteration 1614: trace = 2.393039432859119 (1.95825e-09% change) linmin: converged after 4 iterations. iteration 1615: trace = 2.393039432848947 (4.2506e-10% change) large trace change predicted (1.31321e-09%) linmin: converged after 4 iterations. iteration 1616: trace = 2.39303943281737 (1.31952e-09% change) linmin: converged after 4 iterations. iteration 1617: trace = 2.393039432801733 (6.53429e-10% change) linmin: converged after 3 iterations. iteration 1618: trace = 2.393039432781255 (8.55762e-10% change) linmin: converged after 4 iterations. iteration 1619: trace = 2.393039432751393 (1.24786e-09% change) linmin: converged after 3 iterations. iteration 1620: trace = 2.393039432732823 (7.76002e-10% change) large trace change predicted (2.49342e-09%) linmin: converged after 4 iterations. iteration 1621: trace = 2.393039432673012 (2.49938e-09% change) linmin: converged after 4 iterations. iteration 1622: trace = 2.393039432656656 (6.83474e-10% change) large trace change predicted (3.03876e-09%) linmin: converged after 3 iterations. iteration 1623: trace = 2.393039432583715 (3.04804e-09% change) linmin: converged after 3 iterations. iteration 1624: trace = 2.393039432557916 (1.0781e-09% change) large trace change predicted (3.56931e-09%) linmin: converged after 3 iterations. iteration 1625: trace = 2.393039432472728 (3.55982e-09% change) linmin: converged after 3 iterations. iteration 1626: trace = 2.393039432454453 (7.6368e-10% change) large trace change predicted (1.8799e-09%) linmin: converged after 6 iterations. iteration 1627: trace = 2.393039432409703 (1.87001e-09% change) linmin: converged after 3 iterations. iteration 1628: trace = 2.393039432388769 (8.74765e-10% change) linmin: converged after 6 iterations. iteration 1629: trace = 2.39303943235637 (1.3539e-09% change) linmin: converged after 4 iterations. iteration 1630: trace = 2.393039432347116 (3.86702e-10% change) large trace change predicted (8.22614e-10%) linmin: converged after 4 iterations. iteration 1631: trace = 2.393039432327366 (8.25291e-10% change) linmin: converged after 3 iterations. iteration 1632: trace = 2.393039432322525 (2.02296e-10% change) large trace change predicted (5.90042e-10%) linmin: converged after 5 iterations. iteration 1633: trace = 2.393039432308692 (5.78049e-10% change) linmin: converged after 3 iterations. iteration 1634: trace = 2.393039432304877 (1.59428e-10% change) large trace change predicted (3.87263e-10%) linmin: converged after 3 iterations. iteration 1635: trace = 2.393039432294881 (4.17712e-10% change) linmin: converged after 3 iterations. iteration 1636: trace = 2.393039432289792 (2.12651e-10% change) large trace change predicted (4.31789e-10%) linmin: converged after 3 iterations. iteration 1637: trace = 2.393039432280063 (4.06559e-10% change) linmin: converged after 3 iterations. iteration 1638: trace = 2.393039432275521 (1.89825e-10% change) large trace change predicted (5.3685e-10%) linmin: converged after 5 iterations. iteration 1639: trace = 2.393039432262368 (5.496e-10% change) linmin: converged after 5 iterations. iteration 1640: trace = 2.39303943225758 (2.00106e-10% change) large trace change predicted (5.24172e-10%) linmin: converged after 3 iterations. iteration 1641: trace = 2.393039432244986 (5.26273e-10% change) linmin: converged after 2 iterations. iteration 1642: trace = 2.39303943223932 (2.36776e-10% change) linmin: converged after 3 iterations. iteration 1643: trace = 2.39303943223217 (2.98758e-10% change) linmin: converged after 3 iterations. iteration 1644: trace = 2.393039432223006 (3.82972e-10% change) linmin: converged after 3 iterations. iteration 1645: trace = 2.393039432215117 (3.29675e-10% change) large trace change predicted (7.11139e-10%) linmin: converged after 5 iterations. iteration 1646: trace = 2.393039432197942 (7.17676e-10% change) linmin: converged after 3 iterations. iteration 1647: trace = 2.393039432191165 (2.83207e-10% change) large trace change predicted (1.18633e-09%) linmin: converged after 3 iterations. iteration 1648: trace = 2.393039432162791 (1.18568e-09% change) linmin: converged after 4 iterations. iteration 1649: trace = 2.393039432151892 (4.55439e-10% change) linmin: converged after 3 iterations. iteration 1650: trace = 2.393039432134231 (7.38015e-10% change) linmin: converged after 3 iterations. iteration 1651: trace = 2.39303943212708 (2.98832e-10% change) linmin: converged after 4 iterations. iteration 1652: trace = 2.393039432113662 (5.60735e-10% change) linmin: converged after 3 iterations. iteration 1653: trace = 2.393039432110265 (1.41947e-10% change) linmin: converged after 3 iterations. iteration 1654: trace = 2.39303943210401 (2.61383e-10% change) linmin: converged after 3 iterations. iteration 1655: trace = 2.393039432102271 (7.26528e-11% change) Finished solving for bands 2 to 10 after 1655 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 elapsed time for k point: 30.25776481628418 solve_kpoint (0.166667,0,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.472606444049587 (8.48023% change) linmin: converged after 6 iterations. iteration 2: trace = 2.453425694689499 (0.77875% change) linmin: converged after 6 iterations. iteration 3: trace = 2.442844373133047 (0.43222% change) linmin: converged after 6 iterations. iteration 4: trace = 2.431161783451943 (0.479383% change) linmin: converged after 5 iterations. iteration 5: trace = 2.426060194560258 (0.210062% change) linmin: converged after 12 iterations. iteration 6: trace = 2.423173409466769 (0.119061% change) linmin: converged after 8 iterations. iteration 7: trace = 2.421004881492867 (0.0895313% change) linmin: converged after 4 iterations. iteration 8: trace = 2.419230486853249 (0.0733185% change) linmin: converged after 6 iterations. iteration 9: trace = 2.418879862430729 (0.0144943% change) linmin: converged after 4 iterations. iteration 10: trace = 2.418217705979921 (0.0273783% change) linmin: converged after 4 iterations. iteration 11: trace = 2.417916505469104 (0.0124563% change) linmin: converged after 4 iterations. iteration 12: trace = 2.417553308035242 (0.0150222% change) linmin: converged after 4 iterations. iteration 13: trace = 2.417324282480604 (0.00947389% change) linmin: converged after 3 iterations. iteration 14: trace = 2.417053366705144 (0.0112079% change) linmin: converged after 4 iterations. iteration 15: trace = 2.41698322755293 (0.00290189% change) large trace change predicted (0.00610733%) linmin: converged after 3 iterations. iteration 16: trace = 2.416834026712007 (0.00617321% change) linmin: converged after 4 iterations. iteration 17: trace = 2.416789781993957 (0.00183071% change) large trace change predicted (0.00505461%) linmin: converged after 3 iterations. iteration 18: trace = 2.416666836115397 (0.00508729% change) linmin: converged after 4 iterations. iteration 19: trace = 2.416616569659991 (0.00208001% change) linmin: converged after 3 iterations. iteration 20: trace = 2.416550428632107 (0.00273696% change) linmin: converged after 4 iterations. iteration 21: trace = 2.41647061677499 (0.00330277% change) linmin: converged after 3 iterations. iteration 22: trace = 2.416391347241072 (0.00328044% change) linmin: converged after 4 iterations. iteration 23: trace = 2.416340726214369 (0.00209492% change) linmin: converged after 3 iterations. iteration 24: trace = 2.416269391165264 (0.00295224% change) linmin: converged after 4 iterations. iteration 25: trace = 2.416222855716795 (0.00192594% change) linmin: converged after 3 iterations. iteration 26: trace = 2.416194137107516 (0.00118858% change) large trace change predicted (0.00530471%) linmin: converged after 3 iterations. iteration 27: trace = 2.416065855771642 (0.00530937% change) linmin: converged after 3 iterations. iteration 28: trace = 2.416019654272171 (0.00191228% change) large trace change predicted (0.00450129%) linmin: converged after 4 iterations. iteration 29: trace = 2.415911078616929 (0.00449409% change) linmin: converged after 3 iterations. iteration 30: trace = 2.41582623233105 (0.00351204% change) linmin: converged after 3 iterations. iteration 31: trace = 2.415705943041607 (0.00497934% change) linmin: converged after 3 iterations. iteration 32: trace = 2.41562791203783 (0.00323021% change) large trace change predicted (0.0107003%) linmin: converged after 4 iterations. iteration 33: trace = 2.415370435156138 (0.0106594% change) linmin: converged after 3 iterations. iteration 34: trace = 2.415301653416177 (0.00284771% change) large trace change predicted (0.00887834%) linmin: converged after 4 iterations. iteration 35: trace = 2.415087691354858 (0.008859% change) linmin: converged after 4 iterations. iteration 36: trace = 2.414996215924965 (0.00378774% change) linmin: converged after 3 iterations. iteration 37: trace = 2.414847703260695 (0.00614979% change) linmin: converged after 4 iterations. iteration 38: trace = 2.414719100174076 (0.00532566% change) linmin: converged after 4 iterations. iteration 39: trace = 2.414561198772738 (0.00653933% change) linmin: converged after 4 iterations. iteration 40: trace = 2.414484035336261 (0.00319581% change) linmin: converged after 4 iterations. iteration 41: trace = 2.414383009690961 (0.00418424% change) linmin: converged after 3 iterations. iteration 42: trace = 2.414348586369885 (0.00142577% change) linmin: converged after 4 iterations. iteration 43: trace = 2.414292668703664 (0.00231608% change) linmin: converged after 3 iterations. iteration 44: trace = 2.414262767080456 (0.00123853% change) linmin: converged after 4 iterations. iteration 45: trace = 2.414243202251223 (0.000810389% change) linmin: converged after 3 iterations. iteration 46: trace = 2.41422189813125 (0.000882439% change) linmin: converged after 4 iterations. iteration 47: trace = 2.414189269237324 (0.00135154% change) linmin: converged after 3 iterations. iteration 48: trace = 2.414175375423675 (0.000575508% change) large trace change predicted (0.00151723%) linmin: converged after 4 iterations. iteration 49: trace = 2.414139060191522 (0.00150426% change) linmin: converged after 3 iterations. iteration 50: trace = 2.414108542454868 (0.00126413% change) linmin: converged after 4 iterations. iteration 51: trace = 2.414084365376749 (0.0010015% change) linmin: converged after 3 iterations. iteration 52: trace = 2.414051904918761 (0.00134464% change) linmin: converged after 4 iterations. iteration 53: trace = 2.414006465636984 (0.0018823% change) linmin: converged after 3 iterations. iteration 54: trace = 2.413987480915018 (0.000786443% change) large trace change predicted (0.00171873%) linmin: converged after 4 iterations. iteration 55: trace = 2.41394627685337 (0.0017069% change) linmin: converged after 3 iterations. iteration 56: trace = 2.413918543128863 (0.0011489% change) linmin: converged after 4 iterations. iteration 57: trace = 2.413893103320773 (0.00105389% change) linmin: converged after 3 iterations. iteration 58: trace = 2.413859167159071 (0.00140588% change) linmin: converged after 4 iterations. iteration 59: trace = 2.413820533412841 (0.00160051% change) linmin: converged after 3 iterations. iteration 60: trace = 2.413793642887966 (0.00111403% change) linmin: converged after 4 iterations. iteration 61: trace = 2.413747480495318 (0.00191246% change) linmin: converged after 3 iterations. iteration 62: trace = 2.41371756221338 (0.0012395% change) linmin: converged after 4 iterations. iteration 63: trace = 2.413670700604075 (0.00194149% change) linmin: converged after 3 iterations. iteration 64: trace = 2.413608405846809 (0.00258095% change) linmin: converged after 4 iterations. iteration 65: trace = 2.413550287537201 (0.00240797% change) linmin: converged after 3 iterations. iteration 66: trace = 2.413476812982377 (0.0030443% change) linmin: converged after 4 iterations. iteration 67: trace = 2.413393377298732 (0.00345713% change) linmin: converged after 3 iterations. iteration 68: trace = 2.413361497717421 (0.00132095% change) linmin: converged after 4 iterations. iteration 69: trace = 2.413309150943614 (0.00216906% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.413292378020659 (0.00069502% change) linmin: converged after 3 iterations. iteration 71: trace = 2.413275668696134 (0.000692389% change) linmin: converged after 3 iterations. iteration 72: trace = 2.413247230392914 (0.00117842% change) linmin: converged after 6 iterations. iteration 73: trace = 2.413240893142615 (0.000262603% change) large trace change predicted (0.000686834%) linmin: converged after 4 iterations. iteration 74: trace = 2.413224295291219 (0.000687785% change) linmin: converged after 5 iterations. iteration 75: trace = 2.413219241664885 (0.000209414% change) linmin: converged after 3 iterations. iteration 76: trace = 2.413214413763067 (0.000200061% change) linmin: converged after 3 iterations. iteration 77: trace = 2.413206765059113 (0.000316951% change) linmin: converged after 3 iterations. iteration 78: trace = 2.413202614410401 (0.000171997% change) linmin: converged after 3 iterations. iteration 79: trace = 2.413195450559146 (0.000296861% change) large trace change predicted (0.000675726%) linmin: converged after 8 iterations. iteration 80: trace = 2.413179065745166 (0.00067897% change) linmin: converged after 4 iterations. iteration 81: trace = 2.413174428842958 (0.000192149% change) large trace change predicted (0.00067076%) linmin: converged after 3 iterations. iteration 82: trace = 2.413158229205402 (0.000671302% change) linmin: converged after 3 iterations. iteration 83: trace = 2.413137308098147 (0.000866963% change) linmin: converged after 10 iterations. iteration 84: trace = 2.413131994109606 (0.000220211% change) large trace change predicted (0.00137283%) linmin: converged after 3 iterations. iteration 85: trace = 2.413098541949802 (0.00138626% change) linmin: converged after 3 iterations. iteration 86: trace = 2.413088189421191 (0.000429015% change) linmin: converged after 3 iterations. iteration 87: trace = 2.413069932045852 (0.000756601% change) linmin: converged after 4 iterations. iteration 88: trace = 2.413059053695793 (0.000450811% change) linmin: converged after 5 iterations. iteration 89: trace = 2.413054742107001 (0.000178677% change) large trace change predicted (0.00037838%) linmin: converged after 3 iterations. iteration 90: trace = 2.413045600507195 (0.00037884% change) linmin: converged after 3 iterations. iteration 91: trace = 2.413029303648599 (0.000675367% change) linmin: converged after 6 iterations. iteration 92: trace = 2.4130262520718 (0.000126463% change) large trace change predicted (0.000680932%) linmin: converged after 5 iterations. iteration 93: trace = 2.413009777213263 (0.000682749% change) linmin: converged after 4 iterations. iteration 94: trace = 2.413004872651488 (0.000203255% change) linmin: converged after 4 iterations. iteration 95: trace = 2.413000924306064 (0.000163628% change) large trace change predicted (0.000575136%) linmin: converged after 4 iterations. iteration 96: trace = 2.412987024739045 (0.00057603% change) linmin: converged after 4 iterations. iteration 97: trace = 2.412981905102385 (0.00021217% change) linmin: converged after 4 iterations. iteration 98: trace = 2.412974874792636 (0.000291354% change) linmin: converged after 3 iterations. iteration 99: trace = 2.412971574386082 (0.000136778% change) linmin: converged after 4 iterations. iteration 100: trace = 2.412969641078806 (8.01215e-05% change) large trace change predicted (0.000185925%) linmin: converged after 3 iterations. iteration 101: trace = 2.412965154463285 (0.000185938% change) linmin: converged after 4 iterations. iteration 102: trace = 2.412957770144527 (0.000306027% change) linmin: converged after 3 iterations. iteration 103: trace = 2.412955563552529 (9.14476e-05% change) large trace change predicted (0.000451395%) linmin: converged after 6 iterations. iteration 104: trace = 2.412944721540956 (0.000449326% change) linmin: converged after 3 iterations. iteration 105: trace = 2.41293950937119 (0.000216009% change) large trace change predicted (0.000436633%) linmin: converged after 6 iterations. iteration 106: trace = 2.412929007002633 (0.000435253% change) linmin: converged after 4 iterations. iteration 107: trace = 2.412912309230774 (0.000692015% change) linmin: converged after 4 iterations. iteration 108: trace = 2.412882666012415 (0.00122853% change) linmin: converged after 4 iterations. iteration 109: trace = 2.412866201353417 (0.000682367% change) large trace change predicted (0.00140428%) linmin: converged after 4 iterations. iteration 110: trace = 2.412832807627939 (0.001384% change) linmin: converged after 4 iterations. iteration 111: trace = 2.412826891156712 (0.000245209% change) linmin: converged after 4 iterations. iteration 112: trace = 2.412818809042289 (0.000334965% change) linmin: converged after 4 iterations. iteration 113: trace = 2.412807674131574 (0.000461491% change) linmin: converged after 4 iterations. iteration 114: trace = 2.412803693029508 (0.000164999% change) linmin: converged after 4 iterations. iteration 115: trace = 2.4127972617139 (0.00026655% change) linmin: converged after 3 iterations. iteration 116: trace = 2.412795983770513 (5.29652e-05% change) large trace change predicted (0.000176618%) linmin: converged after 4 iterations. iteration 117: trace = 2.412791722043915 (0.00017663% change) linmin: converged after 5 iterations. iteration 118: trace = 2.412788888542498 (0.000117437% change) linmin: converged after 3 iterations. iteration 119: trace = 2.412787743619832 (4.74523e-05% change) large trace change predicted (0.000215331%) linmin: converged after 6 iterations. iteration 120: trace = 2.412782553345898 (0.000215115% change) linmin: converged after 6 iterations. iteration 121: trace = 2.412781545954729 (4.17523e-05% change) large trace change predicted (0.000159543%) linmin: converged after 4 iterations. iteration 122: trace = 2.412777701237077 (0.000159348% change) linmin: converged after 18 iterations. iteration 123: trace = 2.412776222356073 (6.12937e-05% change) linmin: converged after 5 iterations. iteration 124: trace = 2.412774755042443 (6.08143e-05% change) linmin: converged after 3 iterations. iteration 125: trace = 2.412773023109312 (7.17818e-05% change) linmin: converged after 21 iterations. iteration 126: trace = 2.412771965552574 (4.38316e-05% change) large trace change predicted (0.000143996%) linmin: converged after 3 iterations. iteration 127: trace = 2.41276849131844 (0.000143994% change) linmin: converged after 5 iterations. iteration 128: trace = 2.412764268414698 (0.000175023% change) linmin: converged after 4 iterations. iteration 129: trace = 2.412762634452015 (6.77216e-05% change) large trace change predicted (0.000227042%) linmin: converged after 4 iterations. iteration 130: trace = 2.412757162592845 (0.000226788% change) linmin: converged after 4 iterations. iteration 131: trace = 2.412750257084201 (0.000286209% change) linmin: converged after 3 iterations. iteration 132: trace = 2.412744906704094 (0.000221755% change) large trace change predicted (0.000506876%) linmin: converged after 4 iterations. iteration 133: trace = 2.412732661621114 (0.000507518% change) linmin: converged after 3 iterations. iteration 134: trace = 2.412730901215868 (7.29632e-05% change) large trace change predicted (0.000324286%) linmin: converged after 3 iterations. iteration 135: trace = 2.412723068127178 (0.000324657% change) linmin: converged after 3 iterations. iteration 136: trace = 2.412721560282438 (6.24956e-05% change) linmin: converged after 4 iterations. iteration 137: trace = 2.412719100856676 (0.000101936% change) linmin: converged after 3 iterations. iteration 138: trace = 2.412714700919327 (0.000182364% change) linmin: converged after 3 iterations. iteration 139: trace = 2.412714184375936 (2.14092e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.412713734524486 (1.8645e-05% change) large trace change predicted (6.16287e-05%) linmin: converged after 3 iterations. iteration 141: trace = 2.412712246999368 (6.16536e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.412711691509652 (2.30235e-05% change) linmin: converged after 3 iterations. iteration 143: trace = 2.412711373169401 (1.31943e-05% change) large trace change predicted (3.65383e-05%) linmin: converged after 3 iterations. iteration 144: trace = 2.412710491413853 (3.65463e-05% change) linmin: converged after 5 iterations. iteration 145: trace = 2.412709938763487 (2.29058e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.412709279179787 (2.73379e-05% change) large trace change predicted (5.48379e-05%) linmin: converged after 3 iterations. iteration 147: trace = 2.412707954860918 (5.48893e-05% change) linmin: converged after 3 iterations. iteration 148: trace = 2.412707674583051 (1.16167e-05% change) large trace change predicted (2.45841e-05%) linmin: converged after 4 iterations. iteration 149: trace = 2.412707081323644 (2.45889e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.412706054941931 (4.25407e-05% change) linmin: converged after 3 iterations. iteration 151: trace = 2.412705737314202 (1.31648e-05% change) large trace change predicted (4.3779e-05%) linmin: converged after 3 iterations. iteration 152: trace = 2.412704680013591 (4.38222e-05% change) linmin: converged after 3 iterations. iteration 153: trace = 2.412703982545529 (2.89081e-05% change) linmin: converged after 4 iterations. iteration 154: trace = 2.412703517948111 (1.92563e-05% change) large trace change predicted (3.85777e-05%) linmin: converged after 8 iterations. iteration 155: trace = 2.41270258643342 (3.86088e-05% change) linmin: converged after 3 iterations. iteration 156: trace = 2.412701311459481 (5.28442e-05% change) linmin: converged after 4 iterations. iteration 157: trace = 2.412700811534963 (2.07205e-05% change) large trace change predicted (5.76884e-05%) linmin: converged after 10 iterations. iteration 158: trace = 2.412699417641361 (5.77732e-05% change) linmin: converged after 4 iterations. iteration 159: trace = 2.412698162341887 (5.20289e-05% change) linmin: converged after 5 iterations. iteration 160: trace = 2.412697368368714 (3.29081e-05% change) linmin: converged after 9 iterations. iteration 161: trace = 2.41269623825862 (4.68401e-05% change) linmin: converged after 4 iterations. iteration 162: trace = 2.412695344374859 (3.70492e-05% change) linmin: converged after 3 iterations. iteration 163: trace = 2.412694253887037 (4.51979e-05% change) linmin: converged after 13 iterations. iteration 164: trace = 2.412693020054891 (5.11392e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.412692823152933 (8.16109e-06% change) linmin: converged after 3 iterations. iteration 166: trace = 2.412692549652438 (1.13359e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.412692020754352 (2.19215e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.412691921925098 (4.09622e-06% change) large trace change predicted (1.25489e-05%) linmin: converged after 4 iterations. iteration 169: trace = 2.412691618984887 (1.25561e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 2.412691474548498 (5.98653e-06% change) linmin: converged after 3 iterations. iteration 171: trace = 2.412691277740419 (8.1572e-06% change) linmin: converged after 5 iterations. iteration 172: trace = 2.412691015336789 (1.0876e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.412690809628212 (8.52611e-06% change) large trace change predicted (1.91618e-05%) linmin: converged after 4 iterations. iteration 174: trace = 2.412690347240305 (1.91648e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.412689437371166 (3.77118e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.412689212283116 (9.32934e-06% change) large trace change predicted (2.93237e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.412688504479689 (2.93367e-05% change) linmin: converged after 5 iterations. iteration 178: trace = 2.412688074158513 (1.78358e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.412687714539989 (1.49053e-05% change) large trace change predicted (6.12855e-05%) linmin: converged after 3 iterations. iteration 180: trace = 2.412686234840052 (6.133e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.412685861249042 (1.54844e-05% change) large trace change predicted (4.45832e-05%) linmin: converged after 5 iterations. iteration 182: trace = 2.412684785087281 (4.46043e-05% change) linmin: converged after 3 iterations. iteration 183: trace = 2.41268391424031 (3.60945e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.412683584426937 (1.367e-05% change) large trace change predicted (2.86601e-05%) linmin: converged after 4 iterations. iteration 185: trace = 2.4126828922931 (2.86873e-05% change) linmin: converged after 3 iterations. iteration 186: trace = 2.412682195215575 (2.88922e-05% change) linmin: converged after 4 iterations. iteration 187: trace = 2.41268195931831 (9.77739e-06% change) large trace change predicted (2.73147e-05%) linmin: converged after 4 iterations. iteration 188: trace = 2.412681300280118 (2.73156e-05% change) linmin: converged after 6 iterations. iteration 189: trace = 2.412681210659666 (3.71456e-06% change) linmin: converged after 13 iterations. iteration 190: trace = 2.412681085075307 (5.20518e-06% change) large trace change predicted (1.11308e-05%) linmin: converged after 5 iterations. iteration 191: trace = 2.412680816493948 (1.11321e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.412680776889689 (1.6415e-06% change) large trace change predicted (1.2039e-05%) linmin: converged after 4 iterations. iteration 193: trace = 2.412680486443577 (1.20383e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.412680353489921 (5.51062e-06% change) linmin: converged after 3 iterations. iteration 195: trace = 2.412680239196871 (4.73718e-06% change) large trace change predicted (1.80501e-05%) linmin: converged after 10 iterations. iteration 196: trace = 2.412679803805509 (1.8046e-05% change) linmin: converged after 3 iterations. iteration 197: trace = 2.41267946447197 (1.40646e-05% change) linmin: converged after 4 iterations. iteration 198: trace = 2.412679108613661 (1.47495e-05% change) large trace change predicted (6.21181e-05%) linmin: converged after 3 iterations. iteration 199: trace = 2.41267760942113 (6.21381e-05% change) linmin: converged after 11 iterations. iteration 200: trace = 2.412677329330136 (1.16091e-05% change) large trace change predicted (5.1289e-05%) linmin: converged after 3 iterations. iteration 201: trace = 2.412676091487929 (5.13058e-05% change) linmin: converged after 8 iterations. iteration 202: trace = 2.412675210367885 (3.65205e-05% change) linmin: converged after 3 iterations. iteration 203: trace = 2.41267482037625 (1.61643e-05% change) large trace change predicted (5.06605e-05%) linmin: converged after 3 iterations. iteration 204: trace = 2.412673597982601 (5.06655e-05% change) linmin: converged after 3 iterations. iteration 205: trace = 2.412673201218237 (1.6445e-05% change) linmin: converged after 3 iterations. iteration 206: trace = 2.412672585955998 (2.55013e-05% change) linmin: converged after 4 iterations. iteration 207: trace = 2.412672090977705 (2.05158e-05% change) linmin: converged after 6 iterations. iteration 208: trace = 2.412671786684166 (1.26123e-05% change) large trace change predicted (3.39799e-05%) linmin: converged after 3 iterations. iteration 209: trace = 2.41267096690215 (3.39782e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.412670602874786 (1.50881e-05% change) linmin: converged after 5 iterations. iteration 211: trace = 2.412670490426431 (4.66074e-06% change) large trace change predicted (1.04469e-05%) linmin: converged after 3 iterations. iteration 212: trace = 2.412670238501112 (1.04418e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.412670021036975 (9.01342e-06% change) linmin: converged after 4 iterations. iteration 214: trace = 2.412669904651974 (4.82391e-06% change) large trace change predicted (1.67926e-05%) linmin: converged after 3 iterations. iteration 215: trace = 2.412669499569873 (1.67898e-05% change) linmin: converged after 10 iterations. iteration 216: trace = 2.412669411853713 (3.63565e-06% change) large trace change predicted (9.68073e-06%) linmin: converged after 3 iterations. iteration 217: trace = 2.412669178257902 (9.68205e-06% change) linmin: converged after 3 iterations. iteration 218: trace = 2.412668884369803 (1.2181e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.412668796321107 (3.64943e-06% change) large trace change predicted (1.28216e-05%) linmin: converged after 6 iterations. iteration 220: trace = 2.412668486987311 (1.28212e-05% change) linmin: converged after 4 iterations. iteration 221: trace = 2.412668184981692 (1.25175e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 2.412668076523128 (4.49538e-06% change) large trace change predicted (9.13784e-06%) linmin: converged after 3 iterations. iteration 223: trace = 2.412667855996339 (9.14037e-06% change) linmin: converged after 7 iterations. iteration 224: trace = 2.412667538091291 (1.31765e-05% change) linmin: converged after 7 iterations. iteration 225: trace = 2.412667390598602 (6.11326e-06% change) large trace change predicted (1.78114e-05%) linmin: converged after 3 iterations. iteration 226: trace = 2.412666960861872 (1.78117e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.412666759483177 (8.34673e-06% change) linmin: converged after 3 iterations. iteration 228: trace = 2.412666401789967 (1.48256e-05% change) linmin: converged after 4 iterations. iteration 229: trace = 2.412666097330528 (1.26192e-05% change) linmin: converged after 22 iterations. iteration 230: trace = 2.412665839942659 (1.06682e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.412665349530362 (2.03266e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.412664751948703 (2.47685e-05% change) linmin: converged after 3 iterations. iteration 233: trace = 2.412664651678972 (4.15597e-06% change) large trace change predicted (8.35749e-06%) linmin: converged after 3 iterations. iteration 234: trace = 2.412664450031806 (8.35786e-06% change) linmin: converged after 25 iterations. iteration 235: trace = 2.412664283691544 (6.89446e-06% change) linmin: converged after 3 iterations. iteration 236: trace = 2.412664220274956 (2.62849e-06% change) linmin: converged after 9 iterations. iteration 237: trace = 2.412664138057354 (3.40775e-06% change) linmin: converged after 4 iterations. iteration 238: trace = 2.412663989503173 (6.15727e-06% change) linmin: converged after 3 iterations. iteration 239: trace = 2.412663969587983 (8.25444e-07% change) large trace change predicted (4.26568e-06%) linmin: converged after 3 iterations. iteration 240: trace = 2.412663866675259 (4.26552e-06% change) linmin: converged after 12 iterations. iteration 241: trace = 2.412663751544884 (4.77192e-06% change) linmin: converged after 2 iterations. iteration 242: trace = 2.41266369499847 (2.34373e-06% change) large trace change predicted (1.00718e-05%) linmin: converged after 4 iterations. iteration 243: trace = 2.412663452178242 (1.00644e-05% change) linmin: converged after 4 iterations. iteration 244: trace = 2.412663151156393 (1.24767e-05% change) linmin: converged after 3 iterations. iteration 245: trace = 2.412662948473148 (8.40081e-06% change) linmin: converged after 4 iterations. iteration 246: trace = 2.412662687755999 (1.08062e-05% change) linmin: converged after 4 iterations. iteration 247: trace = 2.412662370803505 (1.3137e-05% change) linmin: converged after 3 iterations. iteration 248: trace = 2.412662200001398 (7.0794e-06% change) large trace change predicted (1.90304e-05%) linmin: converged after 12 iterations. iteration 249: trace = 2.412661741337128 (1.90107e-05% change) linmin: converged after 3 iterations. iteration 250: trace = 2.41266159728444 (5.9707e-06% change) large trace change predicted (2.20499e-05%) linmin: converged after 24 iterations. iteration 251: trace = 2.412661066047363 (2.20187e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.412660417681614 (2.68735e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 2.412660295419223 (5.06753e-06% change) linmin: converged after 4 iterations. iteration 254: trace = 2.412660056832534 (9.88895e-06% change) linmin: converged after 3 iterations. iteration 255: trace = 2.412659712171872 (1.42855e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.412659660217123 (2.15342e-06% change) large trace change predicted (1.06483e-05%) linmin: converged after 3 iterations. iteration 257: trace = 2.412659403377862 (1.06455e-05% change) linmin: converged after 4 iterations. iteration 258: trace = 2.412659336905316 (2.75516e-06% change) linmin: converged after 3 iterations. iteration 259: trace = 2.412659285917686 (2.11334e-06% change) large trace change predicted (5.08598e-06%) linmin: converged after 4 iterations. iteration 260: trace = 2.412659163230977 (5.08512e-06% change) linmin: converged after 4 iterations. iteration 261: trace = 2.412659099164944 (2.65541e-06% change) linmin: converged after 7 iterations. iteration 262: trace = 2.412659009974208 (3.69678e-06% change) large trace change predicted (1.00387e-05%) linmin: converged after 4 iterations. iteration 263: trace = 2.412658767813584 (1.00371e-05% change) linmin: converged after 3 iterations. iteration 264: trace = 2.412658710760826 (2.36473e-06% change) large trace change predicted (8.31716e-06%) linmin: converged after 3 iterations. iteration 265: trace = 2.412658510081028 (8.31779e-06% change) large trace change predicted (1.80041e-05%) linmin: converged after 5 iterations. iteration 266: trace = 2.41265807577903 (1.8001e-05% change) linmin: converged after 5 iterations. iteration 267: trace = 2.41265798214739 (3.88085e-06% change) large trace change predicted (3.79598e-05%) linmin: converged after 3 iterations. iteration 268: trace = 2.412657066247773 (3.79623e-05% change) linmin: converged after 3 iterations. iteration 269: trace = 2.412656304274526 (3.15823e-05% change) linmin: converged after 3 iterations. iteration 270: trace = 2.412655870958425 (1.79601e-05% change) linmin: converged after 4 iterations. iteration 271: trace = 2.412655314166939 (2.3078e-05% change) linmin: converged after 4 iterations. iteration 272: trace = 2.41265470735001 (2.51514e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.412654488480997 (9.07171e-06% change) linmin: converged after 3 iterations. iteration 274: trace = 2.412654070975233 (1.73048e-05% change) linmin: converged after 4 iterations. iteration 275: trace = 2.412653936386203 (5.57846e-06% change) large trace change predicted (1.20907e-05%) linmin: converged after 3 iterations. iteration 276: trace = 2.41265364458072 (1.20948e-05% change) linmin: converged after 7 iterations. iteration 277: trace = 2.412653372168565 (1.1291e-05% change) linmin: converged after 3 iterations. iteration 278: trace = 2.412653162905662 (8.67356e-06% change) large trace change predicted (1.84846e-05%) linmin: converged after 3 iterations. iteration 279: trace = 2.412652716765184 (1.84917e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.412652455207527 (1.08411e-05% change) linmin: converged after 20 iterations. iteration 281: trace = 2.412652360846237 (3.9111e-06% change) linmin: converged after 3 iterations. iteration 282: trace = 2.41265225537509 (4.37159e-06% change) linmin: converged after 3 iterations. iteration 283: trace = 2.412652138888463 (4.82816e-06% change) linmin: converged after 5 iterations. iteration 284: trace = 2.412652052870184 (3.5653e-06% change) large trace change predicted (7.58997e-06%) linmin: converged after 3 iterations. iteration 285: trace = 2.412651869742859 (7.59029e-06% change) linmin: converged after 3 iterations. iteration 286: trace = 2.412651799270617 (2.92095e-06% change) large trace change predicted (9.74801e-06%) linmin: converged after 4 iterations. iteration 287: trace = 2.412651564103911 (9.74723e-06% change) linmin: converged after 4 iterations. iteration 288: trace = 2.412651338957 (9.33193e-06% change) linmin: converged after 10 iterations. iteration 289: trace = 2.412651250203858 (3.67866e-06% change) large trace change predicted (2.33009e-05%) linmin: converged after 3 iterations. iteration 290: trace = 2.412650687907668 (2.33062e-05% change) linmin: converged after 4 iterations. iteration 291: trace = 2.412650151096832 (2.22498e-05% change) linmin: converged after 14 iterations. iteration 292: trace = 2.412649994832404 (6.47688e-06% change) large trace change predicted (1.41502e-05%) linmin: converged after 4 iterations. iteration 293: trace = 2.412649653419614 (1.41509e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.412649160195242 (2.04433e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.412649091485763 (2.84789e-06% change) large trace change predicted (1.45293e-05%) linmin: converged after 4 iterations. iteration 296: trace = 2.41264874089071 (1.45315e-05% change) linmin: converged after 3 iterations. iteration 297: trace = 2.412648618064289 (5.09094e-06% change) linmin: converged after 2 iterations. iteration 298: trace = 2.412648490458592 (5.28903e-06% change) linmin: converged after 5 iterations. iteration 299: trace = 2.412648321645227 (6.99701e-06% change) linmin: converged after 8 iterations. iteration 300: trace = 2.412648186195522 (5.61415e-06% change) linmin: converged after 3 iterations. iteration 301: trace = 2.412648135736962 (2.09142e-06% change) large trace change predicted (8.10157e-06%) linmin: converged after 3 iterations. iteration 302: trace = 2.412647940248892 (8.10264e-06% change) linmin: converged after 3 iterations. iteration 303: trace = 2.412647891093454 (2.03741e-06% change) large trace change predicted (4.80022e-06%) linmin: converged after 3 iterations. iteration 304: trace = 2.412647775243975 (4.80176e-06% change) linmin: converged after 3 iterations. iteration 305: trace = 2.412647706472385 (2.85046e-06% change) linmin: converged after 3 iterations. iteration 306: trace = 2.412647647105669 (2.46065e-06% change) linmin: converged after 5 iterations. iteration 307: trace = 2.412647550776515 (3.99267e-06% change) linmin: converged after 5 iterations. iteration 308: trace = 2.412647467679635 (3.44422e-06% change) linmin: converged after 3 iterations. iteration 309: trace = 2.412647428989733 (1.60363e-06% change) linmin: converged after 26 iterations. iteration 310: trace = 2.412647376211101 (2.18758e-06% change) linmin: converged after 3 iterations. iteration 311: trace = 2.412647280765559 (3.95605e-06% change) linmin: converged after 4 iterations. iteration 312: trace = 2.412647228786594 (2.15444e-06% change) large trace change predicted (6.77905e-06%) linmin: converged after 3 iterations. iteration 313: trace = 2.412647065169331 (6.78165e-06% change) linmin: converged after 4 iterations. iteration 314: trace = 2.412646753051242 (1.29367e-05% change) linmin: converged after 10 iterations. iteration 315: trace = 2.412646658773567 (3.90765e-06% change) large trace change predicted (1.02308e-05%) linmin: converged after 3 iterations. iteration 316: trace = 2.412646411689099 (1.02412e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.412646165944869 (1.01857e-05% change) linmin: converged after 5 iterations. iteration 318: trace = 2.412646086140987 (3.30773e-06% change) large trace change predicted (1.07137e-05%) linmin: converged after 3 iterations. iteration 319: trace = 2.412645827473937 (1.07213e-05% change) linmin: converged after 5 iterations. iteration 320: trace = 2.412645794799318 (1.35431e-06% change) large trace change predicted (6.49342e-06%) linmin: converged after 5 iterations. iteration 321: trace = 2.412645638095058 (6.49512e-06% change) linmin: converged after 3 iterations. iteration 322: trace = 2.412645539908312 (4.06967e-06% change) linmin: converged after 3 iterations. iteration 323: trace = 2.412645470292898 (2.88544e-06% change) linmin: converged after 5 iterations. iteration 324: trace = 2.412645423594324 (1.93558e-06% change) large trace change predicted (3.9804e-06%) linmin: converged after 3 iterations. iteration 325: trace = 2.412645327550944 (3.98083e-06% change) linmin: converged after 3 iterations. iteration 326: trace = 2.412645292749612 (1.44246e-06% change) large trace change predicted (3.15097e-06%) linmin: converged after 8 iterations. iteration 327: trace = 2.412645216729559 (3.1509e-06% change) linmin: converged after 3 iterations. iteration 328: trace = 2.412645180610467 (1.49707e-06% change) linmin: converged after 8 iterations. iteration 329: trace = 2.41264516029043 (8.42231e-07% change) large trace change predicted (2.88201e-06%) linmin: converged after 5 iterations. iteration 330: trace = 2.412645090753065 (2.8822e-06% change) linmin: converged after 3 iterations. iteration 331: trace = 2.412645044212114 (1.92904e-06% change) linmin: converged after 3 iterations. iteration 332: trace = 2.412644997272851 (1.94555e-06% change) linmin: converged after 3 iterations. iteration 333: trace = 2.412644923571842 (3.05478e-06% change) linmin: converged after 5 iterations. iteration 334: trace = 2.412644812638755 (4.59799e-06% change) linmin: converged after 4 iterations. iteration 335: trace = 2.412644718722572 (3.89267e-06% change) large trace change predicted (8.05215e-06%) linmin: converged after 5 iterations. iteration 336: trace = 2.412644524438057 (8.05276e-06% change) linmin: converged after 3 iterations. iteration 337: trace = 2.412644452468318 (2.98302e-06% change) large trace change predicted (1.40958e-05%) linmin: converged after 3 iterations. iteration 338: trace = 2.412644112336028 (1.40979e-05% change) linmin: converged after 3 iterations. iteration 339: trace = 2.412643893281934 (9.07942e-06% change) linmin: converged after 4 iterations. iteration 340: trace = 2.412643713764361 (7.4407e-06% change) linmin: converged after 4 iterations. iteration 341: trace = 2.412643535102307 (7.40524e-06% change) linmin: converged after 3 iterations. iteration 342: trace = 2.4126433508807 (7.63567e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.41264331629296 (1.4336e-06% change) large trace change predicted (6.59982e-06%) linmin: converged after 3 iterations. iteration 344: trace = 2.412643157059761 (6.59995e-06% change) linmin: converged after 5 iterations. iteration 345: trace = 2.412643121839656 (1.45981e-06% change) linmin: converged after 2 iterations. iteration 346: trace = 2.412643080046339 (1.73226e-06% change) linmin: converged after 3 iterations. iteration 347: trace = 2.412643010138171 (2.89758e-06% change) linmin: converged after 3 iterations. iteration 348: trace = 2.412642987930474 (9.20472e-07% change) large trace change predicted (3.51363e-06%) linmin: converged after 4 iterations. iteration 349: trace = 2.412642903166176 (3.51334e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 350: trace = 2.412642844611268 (2.427e-06% change) linmin: converged after 5 iterations. iteration 351: trace = 2.412642830495078 (5.85092e-07% change) large trace change predicted (1.82138e-06%) linmin: converged after 3 iterations. iteration 352: trace = 2.412642786551968 (1.82137e-06% change) linmin: converged after 27 iterations. iteration 353: trace = 2.412642752073391 (1.42908e-06% change) linmin: converged after 3 iterations. iteration 354: trace = 2.41264273048977 (8.94605e-07% change) large trace change predicted (4.68373e-06%) linmin: converged after 3 iterations. iteration 355: trace = 2.412642617488578 (4.68371e-06% change) linmin: converged after 3 iterations. iteration 356: trace = 2.412642594095895 (9.69588e-07% change) large trace change predicted (5.27471e-06%) linmin: converged after 20 iterations. iteration 357: trace = 2.412642466832569 (5.27485e-06% change) linmin: converged after 4 iterations. iteration 358: trace = 2.412642365565332 (4.19736e-06% change) linmin: converged after 3 iterations. iteration 359: trace = 2.412642321399928 (1.83058e-06% change) large trace change predicted (9.48518e-06%) linmin: converged after 3 iterations. iteration 360: trace = 2.412642092543082 (9.48573e-06% change) linmin: converged after 6 iterations. iteration 361: trace = 2.412641909803364 (7.57426e-06% change) linmin: converged after 3 iterations. iteration 362: trace = 2.41264179939776 (4.57613e-06% change) linmin: converged after 3 iterations. iteration 363: trace = 2.412641613762463 (7.69428e-06% change) linmin: converged after 3 iterations. iteration 364: trace = 2.412641538169276 (3.13321e-06% change) linmin: converged after 34 iterations. iteration 365: trace = 2.412641465042493 (3.03098e-06% change) linmin: converged after 6 iterations. iteration 366: trace = 2.412641355741133 (4.53036e-06% change) linmin: converged after 5 iterations. iteration 367: trace = 2.412641330140125 (1.06112e-06% change) linmin: converged after 2 iterations. iteration 368: trace = 2.412641279606222 (2.09455e-06% change) linmin: converged after 3 iterations. iteration 369: trace = 2.412641234585843 (1.86602e-06% change) linmin: converged after 3 iterations. iteration 370: trace = 2.412641212495452 (9.1561e-07% change) linmin: converged after 3 iterations. iteration 371: trace = 2.412641181926707 (1.26702e-06% change) linmin: converged after 6 iterations. iteration 372: trace = 2.412641127892186 (2.23964e-06% change) linmin: converged after 3 iterations. iteration 373: trace = 2.412641106089355 (9.03691e-07% change) large trace change predicted (2.55237e-06%) linmin: converged after 3 iterations. iteration 374: trace = 2.412641044516142 (2.55211e-06% change) linmin: converged after 4 iterations. iteration 375: trace = 2.412641020845301 (9.81117e-07% change) linmin: converged after 5 iterations. iteration 376: trace = 2.412640996756757 (9.98431e-07% change) large trace change predicted (2.55648e-06%) linmin: converged after 5 iterations. iteration 377: trace = 2.412640935090587 (2.55596e-06% change) linmin: converged after 3 iterations. iteration 378: trace = 2.412640855987917 (3.27868e-06% change) linmin: converged after 4 iterations. iteration 379: trace = 2.412640839850567 (6.68867e-07% change) large trace change predicted (4.86005e-06%) linmin: converged after 5 iterations. iteration 380: trace = 2.412640722640968 (4.85815e-06% change) linmin: converged after 3 iterations. iteration 381: trace = 2.412640639344002 (3.45252e-06% change) linmin: converged after 3 iterations. iteration 382: trace = 2.412640562692891 (3.17706e-06% change) large trace change predicted (7.73126e-06%) linmin: converged after 5 iterations. iteration 383: trace = 2.41264037630754 (7.72537e-06% change) linmin: converged after 4 iterations. iteration 384: trace = 2.412640230439637 (6.04599e-06% change) linmin: converged after 15 iterations. iteration 385: trace = 2.412640100955243 (5.36692e-06% change) linmin: converged after 4 iterations. iteration 386: trace = 2.412639965343052 (5.6209e-06% change) linmin: converged after 4 iterations. iteration 387: trace = 2.412639912533351 (2.18888e-06% change) linmin: converged after 3 iterations. iteration 388: trace = 2.412639851785 (2.51792e-06% change) linmin: converged after 4 iterations. iteration 389: trace = 2.412639778414356 (3.04109e-06% change) linmin: converged after 3 iterations. iteration 390: trace = 2.412639755202712 (9.62085e-07% change) large trace change predicted (2.71771e-06%) linmin: converged after 5 iterations. iteration 391: trace = 2.412639689650097 (2.71705e-06% change) linmin: converged after 3 iterations. iteration 392: trace = 2.412639628115952 (2.55049e-06% change) linmin: converged after 3 iterations. iteration 393: trace = 2.412639608423833 (8.16206e-07% change) large trace change predicted (1.64926e-06%) linmin: converged after 4 iterations. iteration 394: trace = 2.412639568636067 (1.64914e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.412639513902716 (2.26861e-06% change) linmin: converged after 3 iterations. iteration 396: trace = 2.412639500362761 (5.61209e-07% change) large trace change predicted (3.38373e-06%) linmin: converged after 3 iterations. iteration 397: trace = 2.412639418731918 (3.38347e-06% change) linmin: converged after 3 iterations. iteration 398: trace = 2.412639398034792 (8.57862e-07% change) large trace change predicted (2.07324e-06%) linmin: converged after 2 iterations. iteration 399: trace = 2.412639348013446 (2.0733e-06% change) linmin: converged after 3 iterations. iteration 400: trace = 2.4126392909908 (2.3635e-06% change) linmin: converged after 4 iterations. iteration 401: trace = 2.412639269641126 (8.84909e-07% change) large trace change predicted (3.32984e-06%) linmin: converged after 4 iterations. iteration 402: trace = 2.412639189306073 (3.32976e-06% change) linmin: converged after 4 iterations. iteration 403: trace = 2.41263905533113 (5.55305e-06% change) linmin: converged after 3 iterations. iteration 404: trace = 2.412639028225822 (1.12347e-06% change) large trace change predicted (9.7673e-06%) linmin: converged after 3 iterations. iteration 405: trace = 2.412638792560881 (9.76793e-06% change) linmin: converged after 4 iterations. iteration 406: trace = 2.412638646103814 (6.07041e-06% change) linmin: converged after 3 iterations. iteration 407: trace = 2.412638582683058 (2.62869e-06% change) large trace change predicted (1.40787e-05%) linmin: converged after 3 iterations. iteration 408: trace = 2.41263824299044 (1.40797e-05% change) linmin: converged after 3 iterations. iteration 409: trace = 2.412638128815138 (4.73238e-06% change) linmin: converged after 3 iterations. iteration 410: trace = 2.412637942280573 (7.73156e-06% change) linmin: converged after 3 iterations. iteration 411: trace = 2.412637857732641 (3.50438e-06% change) linmin: converged after 5 iterations. iteration 412: trace = 2.412637818943094 (1.60777e-06% change) large trace change predicted (3.3602e-06%) linmin: converged after 3 iterations. iteration 413: trace = 2.412637737877422 (3.36004e-06% change) linmin: converged after 2 iterations. iteration 414: trace = 2.412637662017589 (3.14427e-06% change) linmin: converged after 5 iterations. iteration 415: trace = 2.412637644558775 (7.2364e-07% change) large trace change predicted (1.79069e-06%) linmin: converged after 2 iterations. iteration 416: trace = 2.412637601355226 (1.79072e-06% change) linmin: converged after 2 iterations. iteration 417: trace = 2.412637559879684 (1.7191e-06% change) linmin: converged after 3 iterations. iteration 418: trace = 2.412637533922754 (1.07587e-06% change) large trace change predicted (2.2649e-06%) linmin: converged after 3 iterations. iteration 419: trace = 2.412637479273623 (2.26512e-06% change) resetting CG direction... linmin: converged after 7 iterations. iteration 420: trace = 2.412637432819816 (1.92544e-06% change) linmin: converged after 4 iterations. iteration 421: trace = 2.412637413121248 (8.16474e-07% change) large trace change predicted (1.68878e-06%) linmin: converged after 6 iterations. iteration 422: trace = 2.412637372376132 (1.68882e-06% change) linmin: converged after 2 iterations. iteration 423: trace = 2.412637330426624 (1.73874e-06% change) linmin: converged after 19 iterations. iteration 424: trace = 2.412637313983578 (6.81538e-07% change) large trace change predicted (2.92704e-06%) linmin: converged after 2 iterations. iteration 425: trace = 2.412637243363836 (2.92708e-06% change) linmin: converged after 26 iterations. iteration 426: trace = 2.412637193355844 (2.07275e-06% change) linmin: converged after 17 iterations. iteration 427: trace = 2.412637150458218 (1.77804e-06% change) linmin: converged after 21 iterations. iteration 428: trace = 2.41263707891563 (2.96533e-06% change) linmin: converged after 3 iterations. iteration 429: trace = 2.412636993513981 (3.53976e-06% change) linmin: converged after 3 iterations. iteration 430: trace = 2.41263684809335 (6.02746e-06% change) linmin: converged after 5 iterations. iteration 431: trace = 2.412636614623135 (9.67697e-06% change) linmin: converged after 3 iterations. iteration 432: trace = 2.412636556675176 (2.40185e-06% change) linmin: converged after 3 iterations. iteration 433: trace = 2.412636453686765 (4.26871e-06% change) linmin: converged after 4 iterations. iteration 434: trace = 2.412636279828395 (7.20616e-06% change) linmin: converged after 4 iterations. iteration 435: trace = 2.412636258098842 (9.00656e-07% change) large trace change predicted (3.69901e-06%) linmin: converged after 3 iterations. iteration 436: trace = 2.412636168843355 (3.6995e-06% change) linmin: converged after 3 iterations. iteration 437: trace = 2.41263613683112 (1.32686e-06% change) linmin: converged after 13 iterations. iteration 438: trace = 2.412636106394956 (1.26153e-06% change) linmin: converged after 3 iterations. iteration 439: trace = 2.412636069161342 (1.54328e-06% change) linmin: converged after 2 iterations. iteration 440: trace = 2.412636027186821 (1.73978e-06% change) linmin: converged after 4 iterations. iteration 441: trace = 2.412636020874565 (2.61633e-07% change) large trace change predicted (1.94341e-06%) linmin: converged after 3 iterations. iteration 442: trace = 2.41263597397982 (1.94371e-06% change) linmin: converged after 25 iterations. iteration 443: trace = 2.412635966957671 (2.91057e-07% change) large trace change predicted (1.01596e-06%) linmin: converged after 3 iterations. iteration 444: trace = 2.412635942444218 (1.01604e-06% change) linmin: converged after 3 iterations. iteration 445: trace = 2.412635905992567 (1.51086e-06% change) linmin: converged after 5 iterations. iteration 446: trace = 2.41263589395495 (4.9894e-07% change) large trace change predicted (1.79603e-06%) linmin: converged after 5 iterations. iteration 447: trace = 2.412635850612305 (1.79649e-06% change) linmin: converged after 5 iterations. iteration 448: trace = 2.412635811006928 (1.64158e-06% change) linmin: converged after 4 iterations. iteration 449: trace = 2.412635798697436 (5.10209e-07% change) large trace change predicted (1.69723e-06%) linmin: converged after 6 iterations. iteration 450: trace = 2.412635757746249 (1.69736e-06% change) linmin: converged after 4 iterations. iteration 451: trace = 2.412635705649002 (2.15935e-06% change) linmin: converged after 3 iterations. iteration 452: trace = 2.412635684648051 (8.70457e-07% change) large trace change predicted (2.84563e-06%) linmin: converged after 3 iterations. iteration 453: trace = 2.412635615975979 (2.84635e-06% change) linmin: converged after 4 iterations. iteration 454: trace = 2.412635519938386 (3.98061e-06% change) linmin: converged after 4 iterations. iteration 455: trace = 2.412635474902494 (1.86667e-06% change) large trace change predicted (4.28776e-06%) linmin: converged after 4 iterations. iteration 456: trace = 2.412635371407836 (4.28969e-06% change) linmin: converged after 3 iterations. iteration 457: trace = 2.412635296053009 (3.12334e-06% change) linmin: converged after 3 iterations. iteration 458: trace = 2.412635272766924 (9.65172e-07% change) large trace change predicted (3.20722e-06%) linmin: converged after 4 iterations. iteration 459: trace = 2.412635195359993 (3.2084e-06% change) linmin: converged after 3 iterations. iteration 460: trace = 2.412635188275773 (2.9363e-07% change) large trace change predicted (1.5465e-06%) linmin: converged after 3 iterations. iteration 461: trace = 2.41263515095761 (1.54678e-06% change) linmin: converged after 2 iterations. iteration 462: trace = 2.412635127526136 (9.71198e-07% change) linmin: converged after 3 iterations. iteration 463: trace = 2.412635118735026 (3.64378e-07% change) large trace change predicted (8.06869e-07%) linmin: converged after 3 iterations. iteration 464: trace = 2.412635099266657 (8.06934e-07% change) linmin: converged after 6 iterations. iteration 465: trace = 2.412635068877691 (1.25958e-06% change) linmin: converged after 3 iterations. iteration 466: trace = 2.41263506366117 (2.16217e-07% change) large trace change predicted (1.37364e-06%) linmin: converged after 5 iterations. iteration 467: trace = 2.412635030519555 (1.37367e-06% change) linmin: converged after 6 iterations. iteration 468: trace = 2.412635016487096 (5.81624e-07% change) linmin: converged after 3 iterations. iteration 469: trace = 2.41263500624972 (4.24323e-07% change) large trace change predicted (1.03765e-06%) linmin: converged after 2 iterations. iteration 470: trace = 2.412634981214679 (1.03766e-06% change) linmin: converged after 3 iterations. iteration 471: trace = 2.412634965245025 (6.61918e-07% change) linmin: converged after 8 iterations. iteration 472: trace = 2.4126349438944 (8.8495e-07% change) linmin: converged after 4 iterations. iteration 473: trace = 2.412634909189798 (1.43845e-06% change) linmin: converged after 2 iterations. iteration 474: trace = 2.412634883334634 (1.07166e-06% change) linmin: converged after 3 iterations. iteration 475: trace = 2.412634849059069 (1.42067e-06% change) large trace change predicted (3.43002e-06%) linmin: converged after 3 iterations. iteration 476: trace = 2.4126347663108 (3.42979e-06% change) linmin: converged after 3 iterations. iteration 477: trace = 2.412634740882421 (1.05397e-06% change) large trace change predicted (4.29477e-06%) linmin: converged after 3 iterations. iteration 478: trace = 2.412634637271467 (4.29451e-06% change) linmin: converged after 5 iterations. iteration 479: trace = 2.412634533845041 (4.28687e-06% change) linmin: converged after 27 iterations. iteration 480: trace = 2.412634517242316 (6.88157e-07% change) large trace change predicted (1.72844e-06%) linmin: converged after 12 iterations. iteration 481: trace = 2.412634475541866 (1.72842e-06% change) linmin: converged after 3 iterations. iteration 482: trace = 2.41263441972692 (2.31344e-06% change) linmin: converged after 2 iterations. iteration 483: trace = 2.41263441176532 (3.29996e-07% change) large trace change predicted (1.86873e-06%) linmin: converged after 4 iterations. iteration 484: trace = 2.412634366682001 (1.86863e-06% change) linmin: converged after 3 iterations. iteration 485: trace = 2.41263435965516 (2.91252e-07% change) large trace change predicted (6.85074e-07%) linmin: converged after 3 iterations. iteration 486: trace = 2.412634343127308 (6.85054e-07% change) linmin: converged after 3 iterations. iteration 487: trace = 2.41263432895347 (5.87484e-07% change) linmin: converged after 3 iterations. iteration 488: trace = 2.412634323489843 (2.26459e-07% change) large trace change predicted (9.58821e-07%) linmin: converged after 3 iterations. iteration 489: trace = 2.412634300357476 (9.58801e-07% change) resetting CG direction... linmin: converged after 2 iterations. iteration 490: trace = 2.412634281736656 (7.71805e-07% change) linmin: converged after 2 iterations. iteration 491: trace = 2.412634276595809 (2.1308e-07% change) large trace change predicted (5.70757e-07%) linmin: converged after 3 iterations. iteration 492: trace = 2.412634262825921 (5.70741e-07% change) linmin: converged after 4 iterations. iteration 493: trace = 2.412634249231897 (5.63452e-07% change) linmin: converged after 3 iterations. iteration 494: trace = 2.412634242338517 (2.8572e-07% change) large trace change predicted (1.69567e-06%) linmin: converged after 4 iterations. iteration 495: trace = 2.412634201427463 (1.6957e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.41263419499343 (2.66681e-07% change) large trace change predicted (1.28584e-06%) linmin: converged after 2 iterations. iteration 497: trace = 2.412634163970514 (1.28585e-06% change) linmin: converged after 2 iterations. iteration 498: trace = 2.412634116527473 (1.96644e-06% change) linmin: converged after 19 iterations. iteration 499: trace = 2.412634105912539 (4.39973e-07% change) large trace change predicted (3.48259e-06%) linmin: converged after 4 iterations. iteration 500: trace = 2.412634021887048 (3.48273e-06% change) linmin: converged after 4 iterations. iteration 501: trace = 2.412633958599335 (2.62318e-06% change) linmin: converged after 3 iterations. iteration 502: trace = 2.412633928809627 (1.23474e-06% change) linmin: converged after 4 iterations. iteration 503: trace = 2.412633877075653 (2.14429e-06% change) linmin: converged after 2 iterations. iteration 504: trace = 2.412633839340824 (1.56405e-06% change) linmin: converged after 7 iterations. iteration 505: trace = 2.412633820781958 (7.69237e-07% change) linmin: converged after 5 iterations. iteration 506: trace = 2.412633783956586 (1.52636e-06% change) linmin: converged after 2 iterations. iteration 507: trace = 2.412633776088994 (3.261e-07% change) large trace change predicted (8.48027e-07%) linmin: converged after 26 iterations. iteration 508: trace = 2.412633755627924 (8.4808e-07% change) linmin: converged after 3 iterations. iteration 509: trace = 2.412633743840963 (4.88552e-07% change) linmin: converged after 19 iterations. iteration 510: trace = 2.412633728658106 (6.29306e-07% change) linmin: converged after 3 iterations. iteration 511: trace = 2.412633720166529 (3.51963e-07% change) large trace change predicted (9.32364e-07%) linmin: converged after 3 iterations. iteration 512: trace = 2.41263369767293 (9.32326e-07% change) linmin: converged after 4 iterations. iteration 513: trace = 2.412633693686148 (1.65246e-07% change) large trace change predicted (5.87892e-07%) linmin: converged after 17 iterations. iteration 514: trace = 2.41263367950261 (5.87886e-07% change) linmin: converged after 5 iterations. iteration 515: trace = 2.412633662782854 (6.93008e-07% change) linmin: converged after 3 iterations. iteration 516: trace = 2.412633657376253 (2.24095e-07% change) large trace change predicted (8.82169e-07%) linmin: converged after 3 iterations. iteration 517: trace = 2.412633636095185 (8.82068e-07% change) linmin: converged after 3 iterations. iteration 518: trace = 2.412633607346653 (1.19158e-06% change) linmin: converged after 2 iterations. iteration 519: trace = 2.412633599639555 (3.19447e-07% change) large trace change predicted (8.53819e-07%) linmin: converged after 32 iterations. iteration 520: trace = 2.412633579040294 (8.53808e-07% change) large trace change predicted (1.97245e-06%) linmin: converged after 3 iterations. iteration 521: trace = 2.412633531462599 (1.97202e-06% change) linmin: converged after 3 iterations. iteration 522: trace = 2.412633477570642 (2.23374e-06% change) linmin: converged after 4 iterations. iteration 523: trace = 2.412633426886634 (2.10078e-06% change) linmin: converged after 3 iterations. iteration 524: trace = 2.412633359265671 (2.80279e-06% change) linmin: converged after 5 iterations. iteration 525: trace = 2.412633337817228 (8.89005e-07% change) linmin: converged after 3 iterations. iteration 526: trace = 2.412633298203067 (1.64195e-06% change) linmin: converged after 4 iterations. iteration 527: trace = 2.412633263084191 (1.45562e-06% change) linmin: converged after 7 iterations. iteration 528: trace = 2.412633253222351 (4.08758e-07% change) large trace change predicted (1.48433e-06%) linmin: converged after 3 iterations. iteration 529: trace = 2.412633217416839 (1.48408e-06% change) linmin: converged after 6 iterations. iteration 530: trace = 2.412633196178212 (8.80309e-07% change) linmin: converged after 3 iterations. iteration 531: trace = 2.412633186891195 (3.84933e-07% change) large trace change predicted (8.93181e-07%) linmin: converged after 3 iterations. iteration 532: trace = 2.412633165344732 (8.93068e-07% change) linmin: converged after 3 iterations. iteration 533: trace = 2.412633156812062 (3.53666e-07% change) linmin: converged after 3 iterations. iteration 534: trace = 2.412633146056645 (4.45796e-07% change) large trace change predicted (1.00718e-06%) linmin: converged after 5 iterations. iteration 535: trace = 2.412633121760272 (1.00705e-06% change) linmin: converged after 4 iterations. iteration 536: trace = 2.412633118229796 (1.46333e-07% change) large trace change predicted (9.32101e-07%) linmin: converged after 22 iterations. iteration 537: trace = 2.412633095741972 (9.32086e-07% change) linmin: converged after 3 iterations. iteration 538: trace = 2.41263308374013 (4.97458e-07% change) linmin: converged after 3 iterations. iteration 539: trace = 2.412633069881589 (5.74416e-07% change) linmin: converged after 3 iterations. iteration 540: trace = 2.41263304862555 (8.81031e-07% change) linmin: converged after 2 iterations. iteration 541: trace = 2.412633020095288 (1.18254e-06% change) linmin: converged after 3 iterations. iteration 542: trace = 2.412633010431751 (4.00539e-07% change) large trace change predicted (1.70064e-06%) linmin: converged after 3 iterations. iteration 543: trace = 2.41263296939943 (1.70073e-06% change) linmin: converged after 13 iterations. iteration 544: trace = 2.412632934470472 (1.44775e-06% change) linmin: converged after 2 iterations. iteration 545: trace = 2.412632891808013 (1.76829e-06% change) linmin: converged after 3 iterations. iteration 546: trace = 2.412632838261095 (2.21944e-06% change) linmin: converged after 3 iterations. iteration 547: trace = 2.412632765046068 (3.03465e-06% change) linmin: converged after 9 iterations. iteration 548: trace = 2.412632696975629 (2.82142e-06% change) linmin: converged after 3 iterations. iteration 549: trace = 2.412632613858183 (3.44509e-06% change) linmin: converged after 18 iterations. iteration 550: trace = 2.412632599296971 (6.0354e-07% change) large trace change predicted (1.2199e-06%) linmin: converged after 3 iterations. iteration 551: trace = 2.412632569865497 (1.21989e-06% change) linmin: converged after 3 iterations. iteration 552: trace = 2.412632548272236 (8.95008e-07% change) linmin: converged after 3 iterations. iteration 553: trace = 2.412632536806427 (4.75241e-07% change) large trace change predicted (1.08005e-06%) linmin: converged after 3 iterations. iteration 554: trace = 2.412632510748531 (1.08006e-06% change) linmin: converged after 7 iterations. iteration 555: trace = 2.41263250015471 (4.39098e-07% change) linmin: converged after 2 iterations. iteration 556: trace = 2.41263249087983 (3.8443e-07% change) linmin: converged after 2 iterations. iteration 557: trace = 2.412632475898788 (6.20942e-07% change) linmin: converged after 17 iterations. iteration 558: trace = 2.412632459726308 (6.70325e-07% change) linmin: converged after 3 iterations. iteration 559: trace = 2.412632453037878 (2.77225e-07% change) resetting CG direction... linmin: converged after 7 iterations. iteration 560: trace = 2.412632446490669 (2.71372e-07% change) large trace change predicted (6.17799e-07%) linmin: converged after 4 iterations. iteration 561: trace = 2.412632431585467 (6.17798e-07% change) linmin: converged after 4 iterations. iteration 562: trace = 2.412632418184995 (5.5543e-07% change) linmin: converged after 7 iterations. iteration 563: trace = 2.412632413569309 (1.91313e-07% change) large trace change predicted (6.30351e-07%) linmin: converged after 16 iterations. iteration 564: trace = 2.412632398361466 (6.30342e-07% change) linmin: converged after 2 iterations. iteration 565: trace = 2.412632377557534 (8.62292e-07% change) linmin: converged after 2 iterations. iteration 566: trace = 2.412632369606865 (3.29543e-07% change) large trace change predicted (9.8336e-07%) linmin: converged after 4 iterations. iteration 567: trace = 2.412632345882681 (9.83332e-07% change) linmin: converged after 2 iterations. iteration 568: trace = 2.412632322306566 (9.77195e-07% change) linmin: converged after 2 iterations. iteration 569: trace = 2.412632311447638 (4.50086e-07% change) large trace change predicted (2.89015e-06%) linmin: converged after 11 iterations. iteration 570: trace = 2.412632241722223 (2.89001e-06% change) linmin: converged after 5 iterations. iteration 571: trace = 2.412632227676855 (5.8216e-07% change) large trace change predicted (3.72563e-06%) linmin: converged after 4 iterations. iteration 572: trace = 2.412632137785639 (3.72586e-06% change) linmin: converged after 4 iterations. iteration 573: trace = 2.412632103523196 (1.42013e-06% change) linmin: converged after 3 iterations. iteration 574: trace = 2.412632085008722 (7.67397e-07% change) large trace change predicted (1.92527e-06%) linmin: converged after 3 iterations. iteration 575: trace = 2.412632038551625 (1.92558e-06% change) linmin: converged after 3 iterations. iteration 576: trace = 2.412632014227871 (1.00818e-06% change) linmin: converged after 2 iterations. iteration 577: trace = 2.412632007446057 (2.81096e-07% change) large trace change predicted (7.90361e-07%) linmin: converged after 3 iterations. iteration 578: trace = 2.412631988377714 (7.90354e-07% change) linmin: converged after 27 iterations. iteration 579: trace = 2.412631977748566 (4.40562e-07% change) linmin: converged after 13 iterations. iteration 580: trace = 2.412631972620951 (2.12532e-07% change) large trace change predicted (5.8032e-07%) linmin: converged after 2 iterations. iteration 581: trace = 2.412631958619966 (5.8032e-07% change) linmin: converged after 2 iterations. iteration 582: trace = 2.412631944724115 (5.75962e-07% change) linmin: converged after 32 iterations. iteration 583: trace = 2.41263194025801 (1.85113e-07% change) large trace change predicted (4.74991e-07%) linmin: converged after 3 iterations. iteration 584: trace = 2.412631928797482 (4.75022e-07% change) linmin: converged after 28 iterations. iteration 585: trace = 2.412631919659818 (3.78743e-07% change) linmin: converged after 3 iterations. iteration 586: trace = 2.412631916153055 (1.4535e-07% change) large trace change predicted (7.2189e-07%) linmin: converged after 3 iterations. iteration 587: trace = 2.412631898732154 (7.2207e-07% change) linmin: converged after 3 iterations. iteration 588: trace = 2.412631885986962 (5.28269e-07% change) linmin: converged after 5 iterations. iteration 589: trace = 2.412631879892699 (2.52598e-07% change) large trace change predicted (5.56476e-07%) linmin: converged after 2 iterations. iteration 590: trace = 2.412631866466608 (5.56491e-07% change) linmin: converged after 37 iterations. iteration 591: trace = 2.412631845926986 (8.51337e-07% change) linmin: converged after 3 iterations. iteration 592: trace = 2.41263183998253 (2.46389e-07% change) large trace change predicted (1.1683e-06%) linmin: converged after 3 iterations. iteration 593: trace = 2.412631811789078 (1.16858e-06% change) linmin: converged after 3 iterations. iteration 594: trace = 2.412631785682621 (1.08207e-06% change) linmin: converged after 4 iterations. iteration 595: trace = 2.412631759379711 (1.09022e-06% change) linmin: converged after 3 iterations. iteration 596: trace = 2.412631724575294 (1.44259e-06% change) linmin: converged after 3 iterations. iteration 597: trace = 2.412631704427449 (8.35098e-07% change) linmin: converged after 4 iterations. iteration 598: trace = 2.412631688668724 (6.53176e-07% change) linmin: converged after 4 iterations. iteration 599: trace = 2.412631663155962 (1.05747e-06% change) linmin: converged after 5 iterations. iteration 600: trace = 2.412631658597713 (1.88933e-07% change) large trace change predicted (5.89134e-07%) linmin: converged after 2 iterations. iteration 601: trace = 2.412631644382599 (5.89195e-07% change) linmin: converged after 3 iterations. iteration 602: trace = 2.412631639366526 (2.07909e-07% change) linmin: converged after 36 iterations. iteration 603: trace = 2.412631632463828 (2.86107e-07% change) linmin: converged after 3 iterations. iteration 604: trace = 2.412631625377565 (2.93715e-07% change) linmin: converged after 4 iterations. iteration 605: trace = 2.412631615931652 (3.91519e-07% change) linmin: converged after 3 iterations. iteration 606: trace = 2.412631613892782 (8.45081e-08% change) large trace change predicted (4.77094e-07%) linmin: converged after 2 iterations. iteration 607: trace = 2.41263160238226 (4.77094e-07% change) linmin: converged after 4 iterations. iteration 608: trace = 2.412631599564764 (1.16781e-07% change) linmin: converged after 32 iterations. iteration 609: trace = 2.412631595914877 (1.51282e-07% change) large trace change predicted (4.42049e-07%) linmin: converged after 3 iterations. iteration 610: trace = 2.412631585250546 (4.42021e-07% change) linmin: converged after 5 iterations. iteration 611: trace = 2.412631582708698 (1.05356e-07% change) large trace change predicted (4.62843e-07%) linmin: converged after 3 iterations. iteration 612: trace = 2.412631571542891 (4.62806e-07% change) linmin: converged after 4 iterations. iteration 613: trace = 2.412631558261164 (5.50508e-07% change) linmin: converged after 4 iterations. iteration 614: trace = 2.412631552653222 (2.32441e-07% change) large trace change predicted (6.46995e-07%) linmin: converged after 2 iterations. iteration 615: trace = 2.412631537043399 (6.47004e-07% change) linmin: converged after 3 iterations. iteration 616: trace = 2.412631513054666 (9.94297e-07% change) linmin: converged after 3 iterations. iteration 617: trace = 2.412631505755657 (3.02533e-07% change) large trace change predicted (1.5784e-06%) linmin: converged after 3 iterations. iteration 618: trace = 2.41263146767603 (1.57834e-06% change) linmin: converged after 28 iterations. iteration 619: trace = 2.412631453487752 (5.88083e-07% change) linmin: converged after 4 iterations. iteration 620: trace = 2.412631427515064 (1.07653e-06% change) linmin: converged after 22 iterations. iteration 621: trace = 2.412631407365048 (8.35188e-07% change) linmin: converged after 3 iterations. iteration 622: trace = 2.412631398574239 (3.64366e-07% change) linmin: converged after 27 iterations. iteration 623: trace = 2.412631392831315 (2.38036e-07% change) large trace change predicted (6.15808e-07%) linmin: converged after 6 iterations. iteration 624: trace = 2.41263137797483 (6.15779e-07% change) linmin: converged after 20 iterations. iteration 625: trace = 2.412631376384986 (6.58967e-08% change) large trace change predicted (3.36896e-07%) linmin: converged after 30 iterations. iteration 626: trace = 2.41263136825704 (3.36891e-07% change) linmin: converged after 4 iterations. iteration 627: trace = 2.412631365059122 (1.32549e-07% change) linmin: converged after 3 iterations. iteration 628: trace = 2.412631362808136 (9.33e-08% change) large trace change predicted (3.22032e-07%) linmin: converged after 28 iterations. iteration 629: trace = 2.412631355038445 (3.22042e-07% change) resetting CG direction... linmin: converged after 8 iterations. iteration 630: trace = 2.412631349035051 (2.48832e-07% change) linmin: converged after 4 iterations. iteration 631: trace = 2.412631346841644 (9.09135e-08% change) linmin: converged after 18 iterations. iteration 632: trace = 2.412631342656679 (1.73461e-07% change) linmin: converged after 5 iterations. iteration 633: trace = 2.412631338482197 (1.73026e-07% change) linmin: converged after 4 iterations. iteration 634: trace = 2.412631334136463 (1.80124e-07% change) large trace change predicted (5.26727e-07%) linmin: converged after 4 iterations. iteration 635: trace = 2.412631321428079 (5.26744e-07% change) linmin: converged after 5 iterations. iteration 636: trace = 2.412631318860464 (1.06424e-07% change) large trace change predicted (3.87641e-07%) linmin: converged after 3 iterations. iteration 637: trace = 2.412631309507975 (3.87647e-07% change) linmin: converged after 4 iterations. iteration 638: trace = 2.412631293525151 (6.62464e-07% change) linmin: converged after 3 iterations. iteration 639: trace = 2.412631288716793 (1.99299e-07% change) large trace change predicted (1.14858e-06%) linmin: converged after 3 iterations. iteration 640: trace = 2.41263126100647 (1.14855e-06% change) linmin: converged after 3 iterations. iteration 641: trace = 2.412631249197048 (4.89483e-07% change) linmin: converged after 3 iterations. iteration 642: trace = 2.412631229078875 (8.33869e-07% change) linmin: converged after 26 iterations. iteration 643: trace = 2.412631211784505 (7.16826e-07% change) linmin: converged after 5 iterations. iteration 644: trace = 2.412631204461599 (3.03524e-07% change) linmin: converged after 8 iterations. iteration 645: trace = 2.412631190197056 (5.91244e-07% change) linmin: converged after 3 iterations. iteration 646: trace = 2.412631177020627 (5.46144e-07% change) linmin: converged after 2 iterations. iteration 647: trace = 2.412631174932069 (8.65677e-08% change) large trace change predicted (3.59982e-07%) linmin: converged after 3 iterations. iteration 648: trace = 2.412631166246968 (3.59985e-07% change) linmin: converged after 11 iterations. iteration 649: trace = 2.412631162316531 (1.62911e-07% change) linmin: converged after 3 iterations. iteration 650: trace = 2.412631158562193 (1.55612e-07% change) linmin: converged after 4 iterations. iteration 651: trace = 2.41263115346261 (2.1137e-07% change) linmin: converged after 4 iterations. iteration 652: trace = 2.412631146651894 (2.82294e-07% change) linmin: converged after 4 iterations. iteration 653: trace = 2.412631144364964 (9.47899e-08% change) large trace change predicted (2.35107e-07%) linmin: converged after 3 iterations. iteration 654: trace = 2.412631138692852 (2.35101e-07% change) linmin: converged after 3 iterations. iteration 655: trace = 2.41263113217699 (2.70073e-07% change) linmin: converged after 22 iterations. iteration 656: trace = 2.412631130174745 (8.29901e-08% change) large trace change predicted (2.5779e-07%) linmin: converged after 3 iterations. iteration 657: trace = 2.412631123955791 (2.57766e-07% change) linmin: converged after 18 iterations. iteration 658: trace = 2.412631113629596 (4.28006e-07% change) linmin: converged after 30 iterations. iteration 659: trace = 2.412631111297119 (9.66777e-08% change) large trace change predicted (4.2426e-07%) linmin: converged after 3 iterations. iteration 660: trace = 2.412631101062367 (4.24215e-07% change) linmin: converged after 31 iterations. iteration 661: trace = 2.412631088155146 (5.34985e-07% change) linmin: converged after 2 iterations. iteration 662: trace = 2.412631083789321 (1.80957e-07% change) large trace change predicted (1.48046e-06%) linmin: converged after 16 iterations. iteration 663: trace = 2.412631048091374 (1.47963e-06% change) linmin: converged after 4 iterations. iteration 664: trace = 2.412631040562628 (3.12055e-07% change) large trace change predicted (9.31718e-07%) linmin: converged after 7 iterations. iteration 665: trace = 2.412631018087821 (9.31548e-07% change) linmin: converged after 3 iterations. iteration 666: trace = 2.412631002209145 (6.58148e-07% change) linmin: converged after 3 iterations. iteration 667: trace = 2.412630991920613 (4.26444e-07% change) linmin: converged after 3 iterations. iteration 668: trace = 2.412630985042449 (2.8509e-07% change) linmin: converged after 3 iterations. iteration 669: trace = 2.412630971489989 (5.6173e-07% change) linmin: converged after 13 iterations. iteration 670: trace = 2.412630967900324 (1.48786e-07% change) large trace change predicted (3.70674e-07%) linmin: converged after 3 iterations. iteration 671: trace = 2.412630958958343 (3.70632e-07% change) linmin: converged after 5 iterations. iteration 672: trace = 2.412630952310623 (2.75538e-07% change) linmin: converged after 4 iterations. iteration 673: trace = 2.412630948796677 (1.45648e-07% change) linmin: converged after 15 iterations. iteration 674: trace = 2.412630944183619 (1.91204e-07% change) linmin: converged after 3 iterations. iteration 675: trace = 2.412630937512059 (2.76526e-07% change) linmin: converged after 5 iterations. iteration 676: trace = 2.412630935776814 (7.19233e-08% change) large trace change predicted (3.52578e-07%) linmin: converged after 4 iterations. iteration 677: trace = 2.412630927270602 (3.5257e-07% change) linmin: converged after 13 iterations. iteration 678: trace = 2.412630925596202 (6.94014e-08% change) large trace change predicted (2.06762e-07%) linmin: converged after 6 iterations. iteration 679: trace = 2.412630920607825 (2.06761e-07% change) linmin: converged after 2 iterations. iteration 680: trace = 2.412630912845021 (3.21757e-07% change) linmin: converged after 18 iterations. iteration 681: trace = 2.412630906674054 (2.55777e-07% change) linmin: converged after 3 iterations. iteration 682: trace = 2.412630901786224 (2.02593e-07% change) large trace change predicted (6.40727e-07%) linmin: converged after 3 iterations. iteration 683: trace = 2.412630886327364 (6.40747e-07% change) linmin: converged after 4 iterations. iteration 684: trace = 2.412630883475305 (1.18214e-07% change) large trace change predicted (1.0685e-06%) linmin: converged after 2 iterations. iteration 685: trace = 2.412630857695842 (1.06852e-06% change) linmin: converged after 6 iterations. iteration 686: trace = 2.412630843171305 (6.02021e-07% change) linmin: converged after 12 iterations. iteration 687: trace = 2.412630835505022 (3.17756e-07% change) large trace change predicted (1.871e-06%) linmin: converged after 3 iterations. iteration 688: trace = 2.412630790360685 (1.87117e-06% change) linmin: converged after 4 iterations. iteration 689: trace = 2.41263077643566 (5.77172e-07% change) linmin: converged after 23 iterations. iteration 690: trace = 2.412630757549502 (7.82803e-07% change) linmin: converged after 4 iterations. iteration 691: trace = 2.412630745736977 (4.89612e-07% change) linmin: converged after 4 iterations. iteration 692: trace = 2.412630741317806 (1.83168e-07% change) linmin: converged after 12 iterations. iteration 693: trace = 2.412630735235082 (2.5212e-07% change) linmin: converged after 2 iterations. iteration 694: trace = 2.412630726878727 (3.46359e-07% change) linmin: converged after 14 iterations. iteration 695: trace = 2.412630724307222 (1.06585e-07% change) linmin: converged after 3 iterations. iteration 696: trace = 2.412630719178575 (2.12575e-07% change) linmin: converged after 4 iterations. iteration 697: trace = 2.41263071298856 (2.56567e-07% change) linmin: converged after 3 iterations. iteration 698: trace = 2.412630710430503 (1.06028e-07% change) linmin: converged after 4 iterations. iteration 699: trace = 2.412630706365883 (1.68473e-07% change) resetting CG direction... linmin: converged after 16 iterations. iteration 700: trace = 2.412630702451284 (1.62254e-07% change) linmin: converged after 4 iterations. iteration 701: trace = 2.412630700072083 (9.86144e-08% change) large trace change predicted (2.42532e-07%) linmin: converged after 3 iterations. iteration 702: trace = 2.412630694220647 (2.42533e-07% change) linmin: converged after 3 iterations. iteration 703: trace = 2.412630690201755 (1.66577e-07% change) linmin: converged after 3 iterations. iteration 704: trace = 2.412630686799742 (1.41008e-07% change) large trace change predicted (2.97103e-07%) linmin: converged after 4 iterations. iteration 705: trace = 2.412630679631751 (2.97103e-07% change) linmin: converged after 4 iterations. iteration 706: trace = 2.412630676644002 (1.23838e-07% change) large trace change predicted (2.85333e-07%) linmin: converged after 9 iterations. iteration 707: trace = 2.412630669760309 (2.85319e-07% change) linmin: converged after 6 iterations. iteration 708: trace = 2.412630659119683 (4.41038e-07% change) linmin: converged after 4 iterations. iteration 709: trace = 2.412630654483289 (1.92172e-07% change) large trace change predicted (9.16394e-07%) linmin: converged after 7 iterations. iteration 710: trace = 2.412630632374666 (9.1637e-07% change) linmin: converged after 3 iterations. iteration 711: trace = 2.412630618680538 (5.67601e-07% change) linmin: converged after 5 iterations. iteration 712: trace = 2.412630601341046 (7.18697e-07% change) linmin: converged after 3 iterations. iteration 713: trace = 2.412630584753535 (6.87528e-07% change) linmin: converged after 3 iterations. iteration 714: trace = 2.41263057532501 (3.90799e-07% change) linmin: converged after 3 iterations. iteration 715: trace = 2.412630560271027 (6.23966e-07% change) linmin: converged after 2 iterations. iteration 716: trace = 2.412630551970443 (3.44047e-07% change) linmin: converged after 10 iterations. iteration 717: trace = 2.412630549192739 (1.15132e-07% change) linmin: converged after 2 iterations. iteration 718: trace = 2.41263054471583 (1.85561e-07% change) linmin: converged after 2 iterations. iteration 719: trace = 2.412630538857399 (2.42823e-07% change) linmin: converged after 3 iterations. iteration 720: trace = 2.412630536761136 (8.68871e-08% change) linmin: converged after 4 iterations. iteration 721: trace = 2.412630533146435 (1.49824e-07% change) linmin: converged after 3 iterations. iteration 722: trace = 2.412630527510687 (2.33593e-07% change) linmin: converged after 3 iterations. iteration 723: trace = 2.412630526446772 (4.40977e-08% change) large trace change predicted (1.30101e-07%) linmin: converged after 4 iterations. iteration 724: trace = 2.412630523307863 (1.30103e-07% change) linmin: converged after 3 iterations. iteration 725: trace = 2.412630519453945 (1.59739e-07% change) linmin: converged after 3 iterations. iteration 726: trace = 2.412630518207952 (5.16446e-08% change) large trace change predicted (2.34616e-07%) linmin: converged after 17 iterations. iteration 727: trace = 2.412630512546714 (2.3465e-07% change) linmin: converged after 6 iterations. iteration 728: trace = 2.412630506461385 (2.52228e-07% change) linmin: converged after 13 iterations. iteration 729: trace = 2.412630503526735 (1.21637e-07% change) linmin: converged after 2 iterations. iteration 730: trace = 2.412630500670857 (1.18372e-07% change) large trace change predicted (3.83426e-07%) linmin: converged after 31 iterations. iteration 731: trace = 2.412630491419292 (3.83464e-07% change) linmin: converged after 4 iterations. iteration 732: trace = 2.412630487241967 (1.73144e-07% change) linmin: converged after 4 iterations. iteration 733: trace = 2.412630479143365 (3.35675e-07% change) linmin: converged after 4 iterations. iteration 734: trace = 2.412630463197248 (6.60943e-07% change) linmin: converged after 4 iterations. iteration 735: trace = 2.412630459871095 (1.37864e-07% change) large trace change predicted (5.16698e-07%) linmin: converged after 18 iterations. iteration 736: trace = 2.412630447403401 (5.16768e-07% change) linmin: converged after 4 iterations. iteration 737: trace = 2.412630437050515 (4.29112e-07% change) linmin: converged after 4 iterations. iteration 738: trace = 2.412630434999898 (8.49951e-08% change) large trace change predicted (4.05645e-07%) linmin: converged after 5 iterations. iteration 739: trace = 2.412630425211492 (4.05715e-07% change) linmin: converged after 18 iterations. iteration 740: trace = 2.412630422792864 (1.00249e-07% change) linmin: converged after 4 iterations. iteration 741: trace = 2.412630418679487 (1.70493e-07% change) linmin: converged after 18 iterations. iteration 742: trace = 2.412630416184035 (1.03433e-07% change) linmin: converged after 3 iterations. iteration 743: trace = 2.41263041506794 (4.62605e-08% change) large trace change predicted (1.14373e-07%) linmin: converged after 3 iterations. iteration 744: trace = 2.412630412308493 (1.14375e-07% change) linmin: converged after 3 iterations. iteration 745: trace = 2.412630408966849 (1.38506e-07% change) linmin: converged after 3 iterations. iteration 746: trace = 2.412630407451646 (6.2803e-08% change) linmin: converged after 2 iterations. iteration 747: trace = 2.412630404591354 (1.18555e-07% change) linmin: converged after 4 iterations. iteration 748: trace = 2.412630402657204 (8.01677e-08% change) linmin: converged after 4 iterations. iteration 749: trace = 2.412630400997644 (6.87863e-08% change) linmin: converged after 10 iterations. iteration 750: trace = 2.412630398680179 (9.60555e-08% change) linmin: converged after 5 iterations. iteration 751: trace = 2.412630394618061 (1.68369e-07% change) linmin: converged after 4 iterations. iteration 752: trace = 2.412630393491419 (4.66977e-08% change) large trace change predicted (2.13813e-07%) linmin: converged after 4 iterations. iteration 753: trace = 2.412630388332938 (2.13811e-07% change) linmin: converged after 4 iterations. iteration 754: trace = 2.412630382520176 (2.4093e-07% change) linmin: converged after 9 iterations. iteration 755: trace = 2.4126303759656 (2.71678e-07% change) linmin: converged after 3 iterations. iteration 756: trace = 2.412630371091617 (2.02019e-07% change) large trace change predicted (5.16521e-07%) linmin: converged after 7 iterations. iteration 757: trace = 2.412630358629444 (5.16539e-07% change) linmin: converged after 15 iterations. iteration 758: trace = 2.412630355701958 (1.2134e-07% change) large trace change predicted (3.71353e-07%) linmin: converged after 3 iterations. iteration 759: trace = 2.412630346742402 (3.71361e-07% change) linmin: converged after 18 iterations. iteration 760: trace = 2.41263034197573 (1.97572e-07% change) linmin: converged after 3 iterations. iteration 761: trace = 2.412630340288286 (6.99421e-08% change) large trace change predicted (3.14295e-07%) linmin: converged after 9 iterations. iteration 762: trace = 2.412630332705693 (3.14287e-07% change) linmin: converged after 14 iterations. iteration 763: trace = 2.412630330923987 (7.38491e-08% change) large trace change predicted (1.63524e-07%) linmin: converged after 25 iterations. iteration 764: trace = 2.412630326978894 (1.63518e-07% change) linmin: converged after 3 iterations. iteration 765: trace = 2.412630324398612 (1.06949e-07% change) linmin: converged after 6 iterations. iteration 766: trace = 2.412630323551356 (3.51175e-08% change) linmin: converged after 4 iterations. iteration 767: trace = 2.412630322291381 (5.22241e-08% change) linmin: converged after 4 iterations. iteration 768: trace = 2.412630319975813 (9.59769e-08% change) linmin: converged after 3 iterations. iteration 769: trace = 2.412630318260621 (7.10922e-08% change) resetting CG direction... linmin: converged after 14 iterations. iteration 770: trace = 2.412630316603023 (6.8705e-08% change) linmin: converged after 4 iterations. iteration 771: trace = 2.412630314481026 (8.79537e-08% change) linmin: converged after 3 iterations. iteration 772: trace = 2.412630313268335 (5.02643e-08% change) linmin: converged after 6 iterations. iteration 773: trace = 2.412630312402779 (3.5876e-08% change) large trace change predicted (1.00362e-07%) linmin: converged after 4 iterations. iteration 774: trace = 2.412630309981413 (1.00362e-07% change) linmin: converged after 3 iterations. iteration 775: trace = 2.41263030676669 (1.33246e-07% change) linmin: converged after 6 iterations. iteration 776: trace = 2.412630304930672 (7.61003e-08% change) linmin: converged after 21 iterations. iteration 777: trace = 2.412630301867263 (1.26974e-07% change) linmin: converged after 3 iterations. iteration 778: trace = 2.412630298618944 (1.34638e-07% change) linmin: converged after 5 iterations. iteration 779: trace = 2.41263029467507 (1.63468e-07% change) large trace change predicted (3.61755e-07%) linmin: converged after 4 iterations. iteration 780: trace = 2.412630285947437 (3.61748e-07% change) linmin: converged after 24 iterations. iteration 781: trace = 2.412630284012123 (8.02159e-08% change) large trace change predicted (4.4009e-07%) linmin: converged after 3 iterations. iteration 782: trace = 2.41263027339509 (4.40061e-07% change) linmin: converged after 16 iterations. iteration 783: trace = 2.412630269793352 (1.49287e-07% change) linmin: converged after 3 iterations. iteration 784: trace = 2.412630264907042 (2.0253e-07% change) linmin: converged after 6 iterations. iteration 785: trace = 2.41263025996022 (2.05039e-07% change) linmin: converged after 4 iterations. iteration 786: trace = 2.412630255820746 (1.71575e-07% change) linmin: converged after 15 iterations. iteration 787: trace = 2.41263025471387 (4.58784e-08% change) large trace change predicted (1.52977e-07%) linmin: converged after 7 iterations. iteration 788: trace = 2.412630251023053 (1.52979e-07% change) linmin: converged after 10 iterations. iteration 789: trace = 2.41263024936717 (6.86339e-08% change) linmin: converged after 2 iterations. iteration 790: trace = 2.412630248105513 (5.22939e-08% change) linmin: converged after 4 iterations. iteration 791: trace = 2.412630246666339 (5.96516e-08% change) linmin: converged after 3 iterations. iteration 792: trace = 2.41263024406951 (1.07635e-07% change) linmin: converged after 9 iterations. iteration 793: trace = 2.412630243432917 (2.63859e-08% change) large trace change predicted (9.34186e-08%) linmin: converged after 12 iterations. iteration 794: trace = 2.412630241179037 (9.342e-08% change) linmin: converged after 3 iterations. iteration 795: trace = 2.412630239099476 (8.61947e-08% change) linmin: converged after 3 iterations. iteration 796: trace = 2.412630238352163 (3.0975e-08% change) large trace change predicted (8.22445e-08%) linmin: converged after 23 iterations. iteration 797: trace = 2.412630236367921 (8.22439e-08% change) linmin: converged after 3 iterations. iteration 798: trace = 2.412630232606408 (1.55909e-07% change) linmin: converged after 19 iterations. iteration 799: trace = 2.412630231516806 (4.51624e-08% change) large trace change predicted (2.36521e-07%) linmin: converged after 4 iterations. iteration 800: trace = 2.412630225810853 (2.36503e-07% change) linmin: converged after 25 iterations. iteration 801: trace = 2.412630222798679 (1.2485e-07% change) linmin: converged after 4 iterations. iteration 802: trace = 2.412630220863988 (8.01901e-08% change) large trace change predicted (4.84364e-07%) linmin: converged after 3 iterations. iteration 803: trace = 2.41263020918054 (4.84262e-07% change) linmin: converged after 6 iterations. iteration 804: trace = 2.412630207079735 (8.70753e-08% change) large trace change predicted (4.01978e-07%) linmin: converged after 3 iterations. iteration 805: trace = 2.412630197382607 (4.01932e-07% change) linmin: converged after 3 iterations. iteration 806: trace = 2.4126301906952 (2.77183e-07% change) linmin: converged after 4 iterations. iteration 807: trace = 2.412630188197123 (1.03542e-07% change) linmin: converged after 3 iterations. iteration 808: trace = 2.412630185638718 (1.06042e-07% change) linmin: converged after 3 iterations. iteration 809: trace = 2.412630181221669 (1.8308e-07% change) linmin: converged after 20 iterations. iteration 810: trace = 2.412630180185274 (4.29571e-08% change) large trace change predicted (1.52193e-07%) linmin: converged after 5 iterations. iteration 811: trace = 2.412630176513556 (1.52187e-07% change) linmin: converged after 8 iterations. iteration 812: trace = 2.412630173906202 (1.08071e-07% change) linmin: converged after 4 iterations. iteration 813: trace = 2.412630172834962 (4.44013e-08% change) linmin: converged after 3 iterations. iteration 814: trace = 2.41263017120225 (6.76735e-08% change) linmin: converged after 7 iterations. iteration 815: trace = 2.412630168443234 (1.14357e-07% change) linmin: converged after 6 iterations. iteration 816: trace = 2.412630168012108 (1.78695e-08% change) large trace change predicted (1.34451e-07%) linmin: converged after 3 iterations. iteration 817: trace = 2.412630164768349 (1.34449e-07% change) linmin: converged after 3 iterations. iteration 818: trace = 2.41263016422142 (2.26694e-08% change) large trace change predicted (9.80595e-08%) linmin: converged after 2 iterations. iteration 819: trace = 2.412630161855602 (9.80597e-08% change) linmin: converged after 20 iterations. iteration 820: trace = 2.412630159297054 (1.06048e-07% change) linmin: converged after 10 iterations. iteration 821: trace = 2.41263015705804 (9.28038e-08% change) linmin: converged after 13 iterations. iteration 822: trace = 2.412630155871234 (4.91914e-08% change) large trace change predicted (2.23432e-07%) linmin: converged after 2 iterations. iteration 823: trace = 2.412630150480587 (2.23434e-07% change) linmin: converged after 20 iterations. iteration 824: trace = 2.4126301484979 (8.21795e-08% change) large trace change predicted (4.01605e-07%) linmin: converged after 3 iterations. iteration 825: trace = 2.412630138808449 (4.01614e-07% change) linmin: converged after 3 iterations. iteration 826: trace = 2.412630130854029 (3.29699e-07% change) linmin: converged after 4 iterations. iteration 827: trace = 2.412630120280009 (4.38278e-07% change) linmin: converged after 4 iterations. iteration 828: trace = 2.41263011724057 (1.2598e-07% change) large trace change predicted (4.29236e-07%) linmin: converged after 3 iterations. iteration 829: trace = 2.412630106884576 (4.29241e-07% change) linmin: converged after 4 iterations. iteration 830: trace = 2.4126301052961 (6.584e-08% change) large trace change predicted (1.72254e-07%) linmin: converged after 3 iterations. iteration 831: trace = 2.412630101140219 (1.72255e-07% change) linmin: converged after 4 iterations. iteration 832: trace = 2.412630098539444 (1.07798e-07% change) linmin: converged after 3 iterations. iteration 833: trace = 2.412630097453729 (4.50013e-08% change) large trace change predicted (1.03096e-07%) linmin: converged after 3 iterations. iteration 834: trace = 2.412630094966325 (1.03099e-07% change) linmin: converged after 2 iterations. iteration 835: trace = 2.412630092792264 (9.01117e-08% change) linmin: converged after 4 iterations. iteration 836: trace = 2.412630092277757 (2.13256e-08% change) large trace change predicted (1.13927e-07%) linmin: converged after 7 iterations. iteration 837: trace = 2.412630089529084 (1.13929e-07% change) linmin: converged after 6 iterations. iteration 838: trace = 2.412630088299716 (5.09555e-08% change) linmin: converged after 3 iterations. iteration 839: trace = 2.412630086251995 (8.48751e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 840: trace = 2.412630084284386 (8.15545e-08% change) linmin: converged after 4 iterations. iteration 841: trace = 2.412630083149172 (4.7053e-08% change) large trace change predicted (1.09024e-07%) linmin: converged after 4 iterations. iteration 842: trace = 2.412630080518833 (1.09024e-07% change) linmin: converged after 23 iterations. iteration 843: trace = 2.412630080047791 (1.9524e-08% change) large trace change predicted (8.27857e-08%) linmin: converged after 2 iterations. iteration 844: trace = 2.412630078050476 (8.27858e-08% change) linmin: converged after 3 iterations. iteration 845: trace = 2.412630076326734 (7.14466e-08% change) linmin: converged after 4 iterations. iteration 846: trace = 2.412630075321909 (4.16485e-08% change) large trace change predicted (1.14688e-07%) linmin: converged after 4 iterations. iteration 847: trace = 2.412630072554904 (1.14688e-07% change) linmin: converged after 3 iterations. iteration 848: trace = 2.41263006919901 (1.39097e-07% change) linmin: converged after 4 iterations. iteration 849: trace = 2.412630067336393 (7.72028e-08% change) large trace change predicted (3.3492e-07%) linmin: converged after 2 iterations. iteration 850: trace = 2.412630059256005 (3.3492e-07% change) linmin: converged after 9 iterations. iteration 851: trace = 2.4126300574847 (7.3418e-08% change) large trace change predicted (2.31598e-07%) linmin: converged after 4 iterations. iteration 852: trace = 2.412630051897633 (2.31576e-07% change) linmin: converged after 3 iterations. iteration 853: trace = 2.412630042380191 (3.94484e-07% change) linmin: converged after 13 iterations. iteration 854: trace = 2.412630039996005 (9.8821e-08% change) large trace change predicted (2.45897e-07%) linmin: converged after 9 iterations. iteration 855: trace = 2.412630034063506 (2.45893e-07% change) linmin: converged after 7 iterations. iteration 856: trace = 2.412630031975191 (8.65576e-08% change) linmin: converged after 6 iterations. iteration 857: trace = 2.412630030754106 (5.06122e-08% change) linmin: converged after 13 iterations. iteration 858: trace = 2.412630028538207 (9.18458e-08% change) linmin: converged after 2 iterations. iteration 859: trace = 2.412630026422624 (8.76878e-08% change) linmin: converged after 30 iterations. iteration 860: trace = 2.412630025936588 (2.01455e-08% change) large trace change predicted (6.63565e-08%) linmin: converged after 2 iterations. iteration 861: trace = 2.41263002433565 (6.63565e-08% change) linmin: converged after 3 iterations. iteration 862: trace = 2.412630023491698 (3.49806e-08% change) linmin: converged after 12 iterations. iteration 863: trace = 2.412630022316116 (4.87262e-08% change) linmin: converged after 4 iterations. iteration 864: trace = 2.412630021446922 (3.60268e-08% change) large trace change predicted (7.70883e-08%) linmin: converged after 6 iterations. iteration 865: trace = 2.412630019587008 (7.70907e-08% change) linmin: converged after 4 iterations. iteration 866: trace = 2.412630019106444 (1.99187e-08% change) large trace change predicted (9.18744e-08%) linmin: converged after 3 iterations. iteration 867: trace = 2.412630016889739 (9.18792e-08% change) linmin: converged after 3 iterations. iteration 868: trace = 2.412630016244695 (2.67361e-08% change) linmin: converged after 4 iterations. iteration 869: trace = 2.412630015191945 (4.36349e-08% change) large trace change predicted (1.00576e-07%) linmin: converged after 6 iterations. iteration 870: trace = 2.412630012765347 (1.00579e-07% change) linmin: converged after 4 iterations. iteration 871: trace = 2.412630011271704 (6.19093e-08% change) linmin: converged after 3 iterations. iteration 872: trace = 2.412630008853896 (1.00215e-07% change) linmin: converged after 4 iterations. iteration 873: trace = 2.412630004635185 (1.74859e-07% change) linmin: converged after 5 iterations. iteration 874: trace = 2.412630000630385 (1.65993e-07% change) linmin: converged after 3 iterations. iteration 875: trace = 2.412629998815453 (7.52263e-08% change) linmin: converged after 5 iterations. iteration 876: trace = 2.412629995255132 (1.4757e-07% change) linmin: converged after 31 iterations. iteration 877: trace = 2.412629991440192 (1.58124e-07% change) linmin: converged after 24 iterations. iteration 878: trace = 2.412629989172162 (9.40065e-08% change) linmin: converged after 24 iterations. iteration 879: trace = 2.412629985710621 (1.43476e-07% change) linmin: converged after 4 iterations. iteration 880: trace = 2.412629985332158 (1.56867e-08% change) large trace change predicted (5.5008e-08%) linmin: converged after 2 iterations. iteration 881: trace = 2.41262998400502 (5.50079e-08% change) linmin: converged after 3 iterations. iteration 882: trace = 2.412629982549062 (6.03473e-08% change) linmin: converged after 3 iterations. iteration 883: trace = 2.412629982081922 (1.93623e-08% change) large trace change predicted (4.1288e-08%) linmin: converged after 10 iterations. iteration 884: trace = 2.412629981085777 (4.12888e-08% change) linmin: converged after 14 iterations. iteration 885: trace = 2.412629979929036 (4.79452e-08% change) linmin: converged after 13 iterations. iteration 886: trace = 2.412629979660682 (1.11229e-08% change) large trace change predicted (4.35044e-08%) linmin: converged after 3 iterations. iteration 887: trace = 2.412629978611086 (4.35042e-08% change) linmin: converged after 3 iterations. iteration 888: trace = 2.412629977862755 (3.10172e-08% change) linmin: converged after 5 iterations. iteration 889: trace = 2.412629977640579 (9.20889e-09% change) large trace change predicted (6.1051e-08%) linmin: converged after 5 iterations. iteration 890: trace = 2.412629976167667 (6.10501e-08% change) linmin: converged after 23 iterations. iteration 891: trace = 2.412629975266875 (3.73365e-08% change) linmin: converged after 15 iterations. iteration 892: trace = 2.412629974672779 (2.46244e-08% change) large trace change predicted (4.98744e-08%) linmin: converged after 3 iterations. iteration 893: trace = 2.412629973469528 (4.9873e-08% change) large trace change predicted (1.08643e-07%) linmin: converged after 30 iterations. iteration 894: trace = 2.412629970848378 (1.08643e-07% change) linmin: converged after 2 iterations. iteration 895: trace = 2.412629970083414 (3.17067e-08% change) large trace change predicted (1.50321e-07%) linmin: converged after 24 iterations. iteration 896: trace = 2.412629966456637 (1.50325e-07% change) linmin: converged after 9 iterations. iteration 897: trace = 2.412629965028064 (5.92123e-08% change) large trace change predicted (1.58114e-07%) linmin: converged after 8 iterations. iteration 898: trace = 2.41262996121332 (1.58116e-07% change) linmin: converged after 5 iterations. iteration 899: trace = 2.412629957809787 (1.41072e-07% change) linmin: converged after 35 iterations. iteration 900: trace = 2.412629957030341 (3.23069e-08% change) linmin: converged after 2 iterations. iteration 901: trace = 2.412629955697596 (5.52403e-08% change) linmin: converged after 3 iterations. iteration 902: trace = 2.412629953312766 (9.88477e-08% change) linmin: converged after 3 iterations. iteration 903: trace = 2.412629953015216 (1.2333e-08% change) large trace change predicted (7.03207e-08%) linmin: converged after 3 iterations. iteration 904: trace = 2.41262995131867 (7.03194e-08% change) linmin: converged after 3 iterations. iteration 905: trace = 2.412629950939846 (1.57017e-08% change) large trace change predicted (3.49471e-08%) linmin: converged after 3 iterations. iteration 906: trace = 2.412629950096718 (3.49464e-08% change) linmin: converged after 3 iterations. iteration 907: trace = 2.412629949568904 (2.18771e-08% change) linmin: converged after 6 iterations. iteration 908: trace = 2.412629949116973 (1.87319e-08% change) linmin: converged after 3 iterations. iteration 909: trace = 2.412629948275761 (3.4867e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 910: trace = 2.412629947471028 (3.3355e-08% change) linmin: converged after 36 iterations. iteration 911: trace = 2.412629947055245 (1.72336e-08% change) linmin: converged after 17 iterations. iteration 912: trace = 2.412629946525912 (2.19401e-08% change) linmin: converged after 6 iterations. iteration 913: trace = 2.412629945810378 (2.96578e-08% change) linmin: converged after 4 iterations. iteration 914: trace = 2.412629945393399 (1.72832e-08% change) large trace change predicted (5.64451e-08%) linmin: converged after 47 iterations. iteration 915: trace = 2.412629944031569 (5.64459e-08% change) linmin: converged after 26 iterations. iteration 916: trace = 2.412629943629525 (1.66641e-08% change) linmin: converged after 20 iterations. iteration 917: trace = 2.412629942932917 (2.88734e-08% change) large trace change predicted (9.36289e-08%) linmin: converged after 4 iterations. iteration 918: trace = 2.412629940673988 (9.36293e-08% change) linmin: converged after 5 iterations. iteration 919: trace = 2.412629940096521 (2.39351e-08% change) large trace change predicted (1.37411e-07%) linmin: converged after 6 iterations. iteration 920: trace = 2.412629936781332 (1.3741e-07% change) linmin: converged after 4 iterations. iteration 921: trace = 2.412629934542952 (9.27776e-08% change) linmin: converged after 7 iterations. iteration 922: trace = 2.412629932988077 (6.44473e-08% change) linmin: converged after 2 iterations. iteration 923: trace = 2.412629930720659 (9.39812e-08% change) linmin: converged after 4 iterations. iteration 924: trace = 2.412629929326787 (5.7774e-08% change) linmin: converged after 27 iterations. iteration 925: trace = 2.412629928081007 (5.16358e-08% change) linmin: converged after 17 iterations. iteration 926: trace = 2.412629926240164 (7.63002e-08% change) linmin: converged after 27 iterations. iteration 927: trace = 2.412629925820453 (1.73964e-08% change) large trace change predicted (3.86754e-08%) linmin: converged after 2 iterations. iteration 928: trace = 2.412629924887355 (3.86756e-08% change) linmin: converged after 41 iterations. iteration 929: trace = 2.412629924369429 (2.14672e-08% change) linmin: converged after 2 iterations. iteration 930: trace = 2.412629923826478 (2.25045e-08% change) linmin: converged after 2 iterations. iteration 931: trace = 2.412629923219155 (2.51727e-08% change) linmin: converged after 3 iterations. iteration 932: trace = 2.412629922302308 (3.8002e-08% change) linmin: converged after 4 iterations. iteration 933: trace = 2.4126299220549 (1.02547e-08% change) large trace change predicted (2.78603e-08%) linmin: converged after 4 iterations. iteration 934: trace = 2.412629921382741 (2.786e-08% change) linmin: converged after 4 iterations. iteration 935: trace = 2.412629920560222 (3.40922e-08% change) linmin: converged after 36 iterations. iteration 936: trace = 2.412629920345635 (8.89434e-09% change) large trace change predicted (3.38632e-08%) linmin: converged after 4 iterations. iteration 937: trace = 2.412629919528646 (3.3863e-08% change) linmin: converged after 3 iterations. iteration 938: trace = 2.412629918300584 (5.09014e-08% change) linmin: converged after 3 iterations. iteration 939: trace = 2.412629917769343 (2.20192e-08% change) large trace change predicted (5.5897e-08%) linmin: converged after 4 iterations. iteration 940: trace = 2.412629916420782 (5.58959e-08% change) linmin: converged after 3 iterations. iteration 941: trace = 2.412629914581155 (7.62499e-08% change) linmin: converged after 3 iterations. iteration 942: trace = 2.412629911254715 (1.37876e-07% change) linmin: converged after 3 iterations. iteration 943: trace = 2.41262990986715 (5.75126e-08% change) large trace change predicted (1.42461e-07%) linmin: converged after 5 iterations. iteration 944: trace = 2.412629906430293 (1.42453e-07% change) linmin: converged after 4 iterations. iteration 945: trace = 2.412629905412537 (4.21845e-08% change) linmin: converged after 11 iterations. iteration 946: trace = 2.412629903522482 (7.834e-08% change) linmin: converged after 4 iterations. iteration 947: trace = 2.412629901690454 (7.59349e-08% change) linmin: converged after 21 iterations. iteration 948: trace = 2.412629900950258 (3.068e-08% change) linmin: converged after 4 iterations. iteration 949: trace = 2.412629899662118 (5.33915e-08% change) linmin: converged after 3 iterations. iteration 950: trace = 2.412629898230838 (5.93245e-08% change) linmin: converged after 3 iterations. iteration 951: trace = 2.412629897991913 (9.90309e-09% change) large trace change predicted (5.29534e-08%) linmin: converged after 3 iterations. iteration 952: trace = 2.41262989671438 (5.29519e-08% change) linmin: converged after 3 iterations. iteration 953: trace = 2.412629896309786 (1.67698e-08% change) linmin: converged after 4 iterations. iteration 954: trace = 2.412629895836504 (1.96169e-08% change) linmin: converged after 2 iterations. iteration 955: trace = 2.412629895081384 (3.12986e-08% change) linmin: converged after 7 iterations. iteration 956: trace = 2.412629894883394 (8.2064e-09% change) large trace change predicted (4.38064e-08%) linmin: converged after 3 iterations. iteration 957: trace = 2.412629893826515 (4.38061e-08% change) linmin: converged after 4 iterations. iteration 958: trace = 2.412629893180432 (2.67792e-08% change) linmin: converged after 38 iterations. iteration 959: trace = 2.412629892826355 (1.4676e-08% change) large trace change predicted (3.17232e-08%) linmin: converged after 12 iterations. iteration 960: trace = 2.412629892060996 (3.1723e-08% change) linmin: converged after 2 iterations. iteration 961: trace = 2.412629891017226 (4.32627e-08% change) linmin: converged after 3 iterations. iteration 962: trace = 2.412629890602425 (1.71929e-08% change) large trace change predicted (7.44358e-08%) linmin: converged after 27 iterations. iteration 963: trace = 2.412629888806557 (7.44361e-08% change) linmin: converged after 13 iterations. iteration 964: trace = 2.412629887604175 (4.9837e-08% change) linmin: converged after 3 iterations. iteration 965: trace = 2.412629886253166 (5.59974e-08% change) linmin: converged after 7 iterations. iteration 966: trace = 2.412629883631566 (1.08662e-07% change) large trace change predicted (2.34659e-07%) linmin: converged after 4 iterations. iteration 967: trace = 2.412629877969849 (2.3467e-07% change) linmin: converged after 3 iterations. iteration 968: trace = 2.412629877115728 (3.54021e-08% change) large trace change predicted (1.32789e-07%) linmin: converged after 3 iterations. iteration 969: trace = 2.412629873912004 (1.3279e-07% change) linmin: converged after 13 iterations. iteration 970: trace = 2.412629872782881 (4.68005e-08% change) linmin: converged after 12 iterations. iteration 971: trace = 2.412629872106401 (2.80391e-08% change) linmin: converged after 2 iterations. iteration 972: trace = 2.412629870848208 (5.21503e-08% change) linmin: converged after 10 iterations. iteration 973: trace = 2.412629869960634 (3.67886e-08% change) linmin: converged after 34 iterations. iteration 974: trace = 2.41262986946762 (2.04347e-08% change) linmin: converged after 3 iterations. iteration 975: trace = 2.41262986867368 (3.29077e-08% change) linmin: converged after 3 iterations. iteration 976: trace = 2.41262986839932 (1.13718e-08% change) large trace change predicted (2.91196e-08%) linmin: converged after 4 iterations. iteration 977: trace = 2.412629867696774 (2.91195e-08% change) linmin: converged after 3 iterations. iteration 978: trace = 2.412629867148463 (2.27267e-08% change) large trace change predicted (1.89424e-07%) linmin: converged after 3 iterations. iteration 979: trace = 2.41262986257837 (1.89424e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 980: trace = 2.412629859590247 (1.23853e-07% change) linmin: converged after 3 iterations. iteration 981: trace = 2.412629858050291 (6.38289e-08% change) linmin: converged after 24 iterations. iteration 982: trace = 2.412629857830728 (9.10059e-09% change) linmin: converged after 4 iterations. iteration 983: trace = 2.412629857470436 (1.49336e-08% change) large trace change predicted (4.00601e-08%) linmin: converged after 3 iterations. iteration 984: trace = 2.412629856503938 (4.00599e-08% change) linmin: converged after 6 iterations. iteration 985: trace = 2.412629856371448 (5.49154e-09% change) large trace change predicted (3.64852e-08%) linmin: converged after 6 iterations. iteration 986: trace = 2.412629855491198 (3.64851e-08% change) linmin: converged after 3 iterations. iteration 987: trace = 2.412629854814992 (2.80277e-08% change) linmin: converged after 7 iterations. iteration 988: trace = 2.412629854477105 (1.40049e-08% change) large trace change predicted (4.3361e-08%) linmin: converged after 6 iterations. iteration 989: trace = 2.412629853430977 (4.33605e-08% change) linmin: converged after 4 iterations. iteration 990: trace = 2.412629851414832 (8.35663e-08% change) linmin: converged after 7 iterations. iteration 991: trace = 2.41262985092101 (2.04682e-08% change) large trace change predicted (1.41588e-07%) linmin: converged after 16 iterations. iteration 992: trace = 2.412629847505078 (1.41585e-07% change) linmin: converged after 3 iterations. iteration 993: trace = 2.412629846881041 (2.58654e-08% change) large trace change predicted (6.3637e-08%) linmin: converged after 2 iterations. iteration 994: trace = 2.412629845345718 (6.36369e-08% change) linmin: converged after 5 iterations. iteration 995: trace = 2.412629843407829 (8.03227e-08% change) linmin: converged after 10 iterations. iteration 996: trace = 2.412629843002901 (1.67837e-08% change) large trace change predicted (7.12799e-08%) linmin: converged after 4 iterations. iteration 997: trace = 2.412629841283203 (7.1279e-08% change) linmin: converged after 3 iterations. iteration 998: trace = 2.412629840375272 (3.76324e-08% change) linmin: converged after 3 iterations. iteration 999: trace = 2.412629840051821 (1.34065e-08% change) linmin: converged after 19 iterations. iteration 1000: trace = 2.412629839422522 (2.60835e-08% change) linmin: converged after 2 iterations. iteration 1001: trace = 2.412629839099037 (1.3408e-08% change) linmin: converged after 2 iterations. iteration 1002: trace = 2.412629838786054 (1.29727e-08% change) large trace change predicted (2.59791e-08%) linmin: converged after 12 iterations. iteration 1003: trace = 2.412629838159274 (2.59791e-08% change) linmin: converged after 3 iterations. iteration 1004: trace = 2.412629837530789 (2.60498e-08% change) linmin: converged after 21 iterations. iteration 1005: trace = 2.412629837414118 (4.83587e-09% change) large trace change predicted (1.0733e-08%) linmin: converged after 3 iterations. iteration 1006: trace = 2.412629837155168 (1.07331e-08% change) large trace change predicted (2.77305e-08%) linmin: converged after 4 iterations. iteration 1007: trace = 2.412629836486124 (2.77309e-08% change) linmin: converged after 4 iterations. iteration 1008: trace = 2.412629836330119 (6.46618e-09% change) large trace change predicted (2.76189e-08%) linmin: converged after 3 iterations. iteration 1009: trace = 2.412629835663763 (2.76195e-08% change) linmin: converged after 3 iterations. iteration 1010: trace = 2.412629835045093 (2.5643e-08% change) linmin: converged after 10 iterations. iteration 1011: trace = 2.412629834554103 (2.03508e-08% change) linmin: converged after 20 iterations. iteration 1012: trace = 2.412629834091768 (1.91631e-08% change) large trace change predicted (4.52855e-08%) linmin: converged after 6 iterations. iteration 1013: trace = 2.41262983299915 (4.52874e-08% change) linmin: converged after 3 iterations. iteration 1014: trace = 2.412629832136194 (3.57683e-08% change) large trace change predicted (7.25853e-08%) linmin: converged after 7 iterations. iteration 1015: trace = 2.412629830384875 (7.25896e-08% change) linmin: converged after 31 iterations. iteration 1016: trace = 2.412629829000491 (5.73807e-08% change) linmin: converged after 3 iterations. iteration 1017: trace = 2.412629828338103 (2.7455e-08% change) linmin: converged after 10 iterations. iteration 1018: trace = 2.41262982742223 (3.79616e-08% change) linmin: converged after 22 iterations. iteration 1019: trace = 2.412629826163995 (5.2152e-08% change) linmin: converged after 4 iterations. iteration 1020: trace = 2.412629826013464 (6.2393e-09% change) large trace change predicted (3.46488e-08%) linmin: converged after 13 iterations. iteration 1021: trace = 2.412629825177493 (3.46498e-08% change) linmin: converged after 3 iterations. iteration 1022: trace = 2.412629824945169 (9.62951e-09% change) linmin: converged after 7 iterations. iteration 1023: trace = 2.412629824521555 (1.75582e-08% change) linmin: converged after 23 iterations. iteration 1024: trace = 2.412629824155767 (1.51614e-08% change) linmin: converged after 19 iterations. iteration 1025: trace = 2.412629823840751 (1.3057e-08% change) linmin: converged after 3 iterations. iteration 1026: trace = 2.412629823689626 (6.26393e-09% change) large trace change predicted (1.98456e-08%) linmin: converged after 6 iterations. iteration 1027: trace = 2.412629823210819 (1.98459e-08% change) linmin: converged after 35 iterations. iteration 1028: trace = 2.412629823007137 (8.4423e-09% change) linmin: converged after 22 iterations. iteration 1029: trace = 2.412629822720439 (1.18832e-08% change) linmin: converged after 3 iterations. iteration 1030: trace = 2.412629822505684 (8.9013e-09% change) linmin: converged after 29 iterations. iteration 1031: trace = 2.412629822346361 (6.6037e-09% change) large trace change predicted (1.36457e-08%) linmin: converged after 4 iterations. iteration 1032: trace = 2.412629822017142 (1.36456e-08% change) large trace change predicted (2.84252e-08%) linmin: converged after 2 iterations. iteration 1033: trace = 2.412629821331347 (2.84252e-08% change) linmin: converged after 3 iterations. iteration 1034: trace = 2.412629821188575 (5.91769e-09% change) large trace change predicted (3.28654e-08%) linmin: converged after 4 iterations. iteration 1035: trace = 2.412629820395655 (3.28654e-08% change) linmin: converged after 3 iterations. iteration 1036: trace = 2.412629819622004 (3.20667e-08% change) linmin: converged after 17 iterations. iteration 1037: trace = 2.412629819185757 (1.80818e-08% change) large trace change predicted (4.44107e-08%) linmin: converged after 4 iterations. iteration 1038: trace = 2.412629818114298 (4.44104e-08% change) linmin: converged after 3 iterations. iteration 1039: trace = 2.412629817154174 (3.97958e-08% change) linmin: converged after 4 iterations. iteration 1040: trace = 2.412629816520486 (2.62654e-08% change) linmin: converged after 3 iterations. iteration 1041: trace = 2.412629815420277 (4.56021e-08% change) linmin: converged after 25 iterations. iteration 1042: trace = 2.412629815079729 (1.41152e-08% change) linmin: converged after 7 iterations. iteration 1043: trace = 2.412629814825412 (1.05411e-08% change) linmin: converged after 4 iterations. iteration 1044: trace = 2.412629814435645 (1.61553e-08% change) linmin: converged after 4 iterations. iteration 1045: trace = 2.412629813948093 (2.02083e-08% change) linmin: converged after 2 iterations. iteration 1046: trace = 2.412629813889172 (2.4422e-09% change) large trace change predicted (1.07526e-08%) linmin: converged after 25 iterations. iteration 1047: trace = 2.41262981362975 (1.07527e-08% change) linmin: converged after 11 iterations. iteration 1048: trace = 2.412629813540506 (3.69904e-09% change) large trace change predicted (8.61528e-09%) linmin: converged after 8 iterations. iteration 1049: trace = 2.412629813332653 (8.61522e-09% change) resetting CG direction... linmin: converged after 13 iterations. iteration 1050: trace = 2.412629813155812 (7.32977e-09% change) linmin: converged after 4 iterations. iteration 1051: trace = 2.41262981307529 (3.33753e-09% change) large trace change predicted (9.42004e-09%) linmin: converged after 20 iterations. iteration 1052: trace = 2.412629812848018 (9.42011e-09% change) linmin: converged after 3 iterations. iteration 1053: trace = 2.412629812775944 (2.98736e-09% change) large trace change predicted (1.27591e-08%) linmin: converged after 8 iterations. iteration 1054: trace = 2.412629812468112 (1.27592e-08% change) linmin: converged after 3 iterations. iteration 1055: trace = 2.412629812144036 (1.34325e-08% change) linmin: converged after 3 iterations. iteration 1056: trace = 2.412629811998194 (6.04496e-09% change) large trace change predicted (1.28836e-08%) linmin: converged after 2 iterations. iteration 1057: trace = 2.412629811687359 (1.28837e-08% change) large trace change predicted (3.02256e-08%) linmin: converged after 7 iterations. iteration 1058: trace = 2.412629810958125 (3.02257e-08% change) linmin: converged after 4 iterations. iteration 1059: trace = 2.412629810777501 (7.4866e-09% change) large trace change predicted (4.34894e-08%) linmin: converged after 17 iterations. iteration 1060: trace = 2.412629809728261 (4.34894e-08% change) linmin: converged after 7 iterations. iteration 1061: trace = 2.412629808874519 (3.53864e-08% change) linmin: converged after 6 iterations. iteration 1062: trace = 2.412629808242717 (2.61873e-08% change) linmin: converged after 22 iterations. iteration 1063: trace = 2.41262980759966 (2.66538e-08% change) linmin: converged after 10 iterations. iteration 1064: trace = 2.41262980665386 (3.9202e-08% change) linmin: converged after 26 iterations. iteration 1065: trace = 2.41262980654344 (4.57672e-09% change) large trace change predicted (1.99941e-08%) linmin: converged after 4 iterations. iteration 1066: trace = 2.41262980606106 (1.99939e-08% change) linmin: converged after 9 iterations. iteration 1067: trace = 2.412629805811213 (1.03558e-08% change) linmin: converged after 4 iterations. iteration 1068: trace = 2.412629805705624 (4.37652e-09% change) linmin: converged after 11 iterations. iteration 1069: trace = 2.412629805515908 (7.86344e-09% change) linmin: converged after 20 iterations. iteration 1070: trace = 2.412629805334772 (7.50782e-09% change) linmin: converged after 4 iterations. iteration 1071: trace = 2.412629805210206 (5.16307e-09% change) large trace change predicted (1.53124e-08%) linmin: converged after 17 iterations. iteration 1072: trace = 2.412629804840776 (1.53124e-08% change) linmin: converged after 33 iterations. iteration 1073: trace = 2.412629804771144 (2.88612e-09% change) large trace change predicted (1.59031e-08%) linmin: converged after 3 iterations. iteration 1074: trace = 2.412629804387463 (1.5903e-08% change) linmin: converged after 23 iterations. iteration 1075: trace = 2.412629804155795 (9.60232e-09% change) linmin: converged after 10 iterations. iteration 1076: trace = 2.41262980407676 (3.27587e-09% change) large trace change predicted (1.86006e-08%) linmin: converged after 36 iterations. iteration 1077: trace = 2.412629803628006 (1.86002e-08% change) linmin: converged after 3 iterations. iteration 1078: trace = 2.412629803265033 (1.50447e-08% change) linmin: converged after 17 iterations. iteration 1079: trace = 2.412629803095975 (7.00723e-09% change) large trace change predicted (2.23841e-08%) linmin: converged after 4 iterations. iteration 1080: trace = 2.412629802555932 (2.2384e-08% change) linmin: converged after 4 iterations. iteration 1081: trace = 2.412629802048575 (2.10292e-08% change) linmin: converged after 3 iterations. iteration 1082: trace = 2.412629801345 (2.91621e-08% change) linmin: converged after 3 iterations. iteration 1083: trace = 2.412629800809239 (2.22065e-08% change) large trace change predicted (5.98722e-08%) linmin: converged after 33 iterations. iteration 1084: trace = 2.412629799364893 (5.9866e-08% change) linmin: converged after 25 iterations. iteration 1085: trace = 2.412629798655092 (2.94202e-08% change) linmin: converged after 19 iterations. iteration 1086: trace = 2.412629798126886 (2.18934e-08% change) linmin: converged after 4 iterations. iteration 1087: trace = 2.412629797635702 (2.03588e-08% change) linmin: converged after 5 iterations. iteration 1088: trace = 2.412629797198965 (1.81021e-08% change) linmin: converged after 3 iterations. iteration 1089: trace = 2.412629796907167 (1.20946e-08% change) linmin: converged after 4 iterations. iteration 1090: trace = 2.412629796531941 (1.55526e-08% change) linmin: converged after 32 iterations. iteration 1091: trace = 2.412629796449308 (3.42502e-09% change) large trace change predicted (1.16911e-08%) linmin: converged after 4 iterations. iteration 1092: trace = 2.412629796167249 (1.16909e-08% change) linmin: converged after 4 iterations. iteration 1093: trace = 2.412629795960692 (8.56149e-09% change) linmin: converged after 4 iterations. iteration 1094: trace = 2.412629795846509 (4.73273e-09% change) linmin: converged after 15 iterations. iteration 1095: trace = 2.412629795652771 (8.03014e-09% change) linmin: converged after 4 iterations. iteration 1096: trace = 2.412629795322679 (1.36819e-08% change) linmin: converged after 24 iterations. iteration 1097: trace = 2.412629795217478 (4.36042e-09% change) large trace change predicted (1.07936e-08%) linmin: converged after 6 iterations. iteration 1098: trace = 2.412629794957067 (1.07937e-08% change) linmin: converged after 3 iterations. iteration 1099: trace = 2.412629794632224 (1.34643e-08% change) linmin: converged after 4 iterations. iteration 1100: trace = 2.412629794519447 (4.67446e-09% change) large trace change predicted (2.53436e-08%) linmin: converged after 5 iterations. iteration 1101: trace = 2.412629793907997 (2.53437e-08% change) linmin: converged after 21 iterations. iteration 1102: trace = 2.412629793758644 (6.19048e-09% change) large trace change predicted (2.35482e-08%) linmin: converged after 4 iterations. iteration 1103: trace = 2.412629793190501 (2.35487e-08% change) linmin: converged after 4 iterations. iteration 1104: trace = 2.412629792461253 (3.02263e-08% change) linmin: converged after 10 iterations. iteration 1105: trace = 2.412629792126098 (1.38917e-08% change) large trace change predicted (2.87896e-08%) linmin: converged after 3 iterations. iteration 1106: trace = 2.412629791431513 (2.87896e-08% change) linmin: converged after 16 iterations. iteration 1107: trace = 2.41262979018219 (5.17826e-08% change) linmin: converged after 5 iterations. iteration 1108: trace = 2.412629789937656 (1.01356e-08% change) large trace change predicted (4.83694e-08%) linmin: converged after 4 iterations. iteration 1109: trace = 2.412629788770661 (4.83702e-08% change) linmin: converged after 22 iterations. iteration 1110: trace = 2.412629788432493 (1.40166e-08% change) linmin: converged after 2 iterations. iteration 1111: trace = 2.412629787804521 (2.60285e-08% change) linmin: converged after 2 iterations. iteration 1112: trace = 2.412629787563505 (9.98979e-09% change) linmin: converged after 7 iterations. iteration 1113: trace = 2.412629787167574 (1.64108e-08% change) linmin: converged after 26 iterations. iteration 1114: trace = 2.41262978710208 (2.71462e-09% change) large trace change predicted (1.07535e-08%) linmin: converged after 3 iterations. iteration 1115: trace = 2.412629786842634 (1.07537e-08% change) linmin: converged after 3 iterations. iteration 1116: trace = 2.412629786631013 (8.77138e-09% change) linmin: converged after 3 iterations. iteration 1117: trace = 2.412629786477301 (6.37113e-09% change) linmin: converged after 3 iterations. iteration 1118: trace = 2.412629786242564 (9.72953e-09% change) large trace change predicted (5.59578e-08%) linmin: converged after 8 iterations. iteration 1119: trace = 2.412629784892496 (5.59584e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1120: trace = 2.412629784404872 (2.02113e-08% change) linmin: converged after 10 iterations. iteration 1121: trace = 2.412629783524642 (3.64843e-08% change) linmin: converged after 23 iterations. iteration 1122: trace = 2.412629783373739 (6.25472e-09% change) linmin: converged after 11 iterations. iteration 1123: trace = 2.412629783299712 (3.06831e-09% change) large trace change predicted (1.17804e-08%) linmin: converged after 6 iterations. iteration 1124: trace = 2.412629783015494 (1.17804e-08% change) linmin: converged after 3 iterations. iteration 1125: trace = 2.412629782814402 (8.33497e-09% change) linmin: converged after 4 iterations. iteration 1126: trace = 2.412629782760295 (2.24265e-09% change) large trace change predicted (1.3604e-08%) linmin: converged after 4 iterations. iteration 1127: trace = 2.412629782432083 (1.36039e-08% change) linmin: converged after 13 iterations. iteration 1128: trace = 2.412629782264087 (6.96322e-09% change) linmin: converged after 4 iterations. iteration 1129: trace = 2.412629782140706 (5.11396e-09% change) large trace change predicted (3.03241e-08%) linmin: converged after 4 iterations. iteration 1130: trace = 2.412629781409102 (3.03239e-08% change) linmin: converged after 25 iterations. iteration 1131: trace = 2.412629781256175 (6.33858e-09% change) large trace change predicted (3.71713e-08%) linmin: converged after 5 iterations. iteration 1132: trace = 2.41262978035938 (3.71709e-08% change) linmin: converged after 4 iterations. iteration 1133: trace = 2.412629779745642 (2.54385e-08% change) linmin: converged after 4 iterations. iteration 1134: trace = 2.412629779450931 (1.22154e-08% change) linmin: converged after 4 iterations. iteration 1135: trace = 2.412629778907784 (2.25127e-08% change) linmin: converged after 7 iterations. iteration 1136: trace = 2.412629778211955 (2.88411e-08% change) linmin: converged after 3 iterations. iteration 1137: trace = 2.41262977809766 (4.73735e-09% change) large trace change predicted (1.5223e-08%) linmin: converged after 4 iterations. iteration 1138: trace = 2.412629777730387 (1.5223e-08% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.412629777410025 (1.32785e-08% change) linmin: converged after 3 iterations. iteration 1140: trace = 2.412629777321095 (3.68605e-09% change) linmin: converged after 4 iterations. iteration 1141: trace = 2.412629777178153 (5.92471e-09% change) linmin: converged after 3 iterations. iteration 1142: trace = 2.412629776943771 (9.71479e-09% change) linmin: converged after 9 iterations. iteration 1143: trace = 2.412629776863264 (3.33692e-09% change) large trace change predicted (1.06162e-08%) linmin: converged after 33 iterations. iteration 1144: trace = 2.412629776607134 (1.06162e-08% change) linmin: converged after 8 iterations. iteration 1145: trace = 2.412629776499311 (4.46911e-09% change) linmin: converged after 15 iterations. iteration 1146: trace = 2.412629776416732 (3.42279e-09% change) linmin: converged after 4 iterations. iteration 1147: trace = 2.412629776294083 (5.0836e-09% change) linmin: converged after 5 iterations. iteration 1148: trace = 2.412629776134596 (6.61053e-09% change) linmin: converged after 28 iterations. iteration 1149: trace = 2.412629776083885 (2.1019e-09% change) large trace change predicted (8.8736e-09%) linmin: converged after 10 iterations. iteration 1150: trace = 2.412629775869797 (8.87363e-09% change) linmin: converged after 22 iterations. iteration 1151: trace = 2.412629775719752 (6.21914e-09% change) linmin: converged after 12 iterations. iteration 1152: trace = 2.412629775584227 (5.61731e-09% change) large trace change predicted (1.2606e-08%) linmin: converged after 3 iterations. iteration 1153: trace = 2.412629775280085 (1.26062e-08% change) linmin: converged after 10 iterations. iteration 1154: trace = 2.412629774724277 (2.30374e-08% change) linmin: converged after 4 iterations. iteration 1155: trace = 2.412629774456334 (1.11059e-08% change) large trace change predicted (3.15689e-08%) linmin: converged after 22 iterations. iteration 1156: trace = 2.412629773694653 (3.15706e-08% change) linmin: converged after 3 iterations. iteration 1157: trace = 2.412629773534898 (6.62159e-09% change) large trace change predicted (1.55247e-08%) linmin: converged after 4 iterations. iteration 1158: trace = 2.412629773160343 (1.55248e-08% change) linmin: converged after 12 iterations. iteration 1159: trace = 2.412629772844335 (1.30981e-08% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.412629772641806 (8.39454e-09% change) linmin: converged after 21 iterations. iteration 1161: trace = 2.412629772515654 (5.22878e-09% change) linmin: converged after 4 iterations. iteration 1162: trace = 2.412629772312235 (8.43142e-09% change) linmin: converged after 16 iterations. iteration 1163: trace = 2.412629772215145 (4.02427e-09% change) linmin: converged after 3 iterations. iteration 1164: trace = 2.412629772074923 (5.812e-09% change) linmin: converged after 4 iterations. iteration 1165: trace = 2.412629771954808 (4.97859e-09% change) linmin: converged after 14 iterations. iteration 1166: trace = 2.412629771787173 (6.94822e-09% change) linmin: converged after 22 iterations. iteration 1167: trace = 2.412629771758716 (1.17951e-09% change) large trace change predicted (6.81186e-09%) linmin: converged after 10 iterations. iteration 1168: trace = 2.412629771594371 (6.81186e-09% change) linmin: converged after 4 iterations. iteration 1169: trace = 2.412629771570261 (9.9929e-10% change) large trace change predicted (3.94188e-09%) linmin: converged after 4 iterations. iteration 1170: trace = 2.412629771475157 (3.94192e-09% change) linmin: converged after 2 iterations. iteration 1171: trace = 2.412629771391257 (3.47753e-09% change) linmin: converged after 24 iterations. iteration 1172: trace = 2.412629771355245 (1.49267e-09% change) large trace change predicted (5.64531e-09%) linmin: converged after 21 iterations. iteration 1173: trace = 2.412629771219049 (5.64514e-09% change) linmin: converged after 4 iterations. iteration 1174: trace = 2.412629771016391 (8.39988e-09% change) linmin: converged after 19 iterations. iteration 1175: trace = 2.412629770965597 (2.10532e-09% change) large trace change predicted (1.72923e-08%) linmin: converged after 21 iterations. iteration 1176: trace = 2.4126297705484 (1.72922e-08% change) linmin: converged after 4 iterations. iteration 1177: trace = 2.412629770423464 (5.1784e-09% change) large trace change predicted (1.17404e-08%) linmin: converged after 5 iterations. iteration 1178: trace = 2.41262977014021 (1.17405e-08% change) linmin: converged after 4 iterations. iteration 1179: trace = 2.412629769714836 (1.76311e-08% change) linmin: converged after 12 iterations. iteration 1180: trace = 2.412629769600674 (4.73185e-09% change) large trace change predicted (1.41304e-08%) linmin: converged after 9 iterations. iteration 1181: trace = 2.412629769259761 (1.41304e-08% change) linmin: converged after 21 iterations. iteration 1182: trace = 2.412629769003851 (1.06071e-08% change) linmin: converged after 2 iterations. iteration 1183: trace = 2.412629768908285 (3.96106e-09% change) linmin: converged after 5 iterations. iteration 1184: trace = 2.412629768854224 (2.24076e-09% change) large trace change predicted (5.65407e-09%) linmin: converged after 5 iterations. iteration 1185: trace = 2.412629768717812 (5.65407e-09% change) linmin: converged after 6 iterations. iteration 1186: trace = 2.412629768642748 (3.11129e-09% change) linmin: converged after 18 iterations. iteration 1187: trace = 2.412629768589487 (2.20761e-09% change) linmin: converged after 18 iterations. iteration 1188: trace = 2.412629768511902 (3.21581e-09% change) linmin: converged after 3 iterations. iteration 1189: trace = 2.412629768467248 (1.85083e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 1190: trace = 2.412629768443352 (9.90454e-10% change) large trace change predicted (2.86412e-09%) linmin: converged after 2 iterations. iteration 1191: trace = 2.412629768374253 (2.86407e-09% change) linmin: converged after 4 iterations. iteration 1192: trace = 2.412629768321486 (2.18708e-09% change) linmin: converged after 4 iterations. iteration 1193: trace = 2.412629768295488 (1.07759e-09% change) large trace change predicted (4.84115e-09%) linmin: converged after 4 iterations. iteration 1194: trace = 2.412629768178687 (4.84122e-09% change) linmin: converged after 25 iterations. iteration 1195: trace = 2.412629768075174 (4.29047e-09% change) linmin: converged after 2 iterations. iteration 1196: trace = 2.41262976801299 (2.57744e-09% change) large trace change predicted (7.19679e-09%) linmin: converged after 24 iterations. iteration 1197: trace = 2.412629767839358 (7.19678e-09% change) linmin: converged after 20 iterations. iteration 1198: trace = 2.412629767725126 (4.73476e-09% change) linmin: converged after 4 iterations. iteration 1199: trace = 2.412629767610647 (4.74497e-09% change) large trace change predicted (1.55225e-08%) linmin: converged after 17 iterations. iteration 1200: trace = 2.412629767236145 (1.55226e-08% change) linmin: converged after 26 iterations. iteration 1201: trace = 2.412629767130348 (4.3851e-09% change) large trace change predicted (1.81704e-08%) linmin: converged after 19 iterations. iteration 1202: trace = 2.412629766691961 (1.81705e-08% change) linmin: converged after 6 iterations. iteration 1203: trace = 2.412629766488364 (8.43881e-09% change) linmin: converged after 2 iterations. iteration 1204: trace = 2.412629766380179 (4.48409e-09% change) linmin: converged after 5 iterations. iteration 1205: trace = 2.41262976620658 (7.19542e-09% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.412629766073156 (5.53025e-09% change) linmin: converged after 4 iterations. iteration 1207: trace = 2.412629766016136 (2.3634e-09% change) linmin: converged after 4 iterations. iteration 1208: trace = 2.412629765919758 (3.99473e-09% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.412629765853866 (2.73114e-09% change) linmin: converged after 15 iterations. iteration 1210: trace = 2.412629765823068 (1.27653e-09% change) linmin: converged after 16 iterations. iteration 1211: trace = 2.412629765770888 (2.16279e-09% change) large trace change predicted (4.48507e-09%) linmin: converged after 4 iterations. iteration 1212: trace = 2.412629765662679 (4.48509e-09% change) linmin: converged after 4 iterations. iteration 1213: trace = 2.412629765631709 (1.28368e-09% change) large trace change predicted (6.64392e-09%) linmin: converged after 4 iterations. iteration 1214: trace = 2.412629765471416 (6.64388e-09% change) linmin: converged after 6 iterations. iteration 1215: trace = 2.412629765430491 (1.69628e-09% change) linmin: converged after 5 iterations. iteration 1216: trace = 2.412629765387899 (1.7654e-09% change) large trace change predicted (7.01156e-09%) linmin: converged after 3 iterations. iteration 1217: trace = 2.412629765218736 (7.01156e-09% change) linmin: converged after 30 iterations. iteration 1218: trace = 2.412629765080736 (5.71989e-09% change) linmin: converged after 30 iterations. iteration 1219: trace = 2.412629765027662 (2.19984e-09% change) large trace change predicted (8.01138e-09%) linmin: converged after 4 iterations. iteration 1220: trace = 2.412629764834378 (8.01136e-09% change) linmin: converged after 19 iterations. iteration 1221: trace = 2.412629764637826 (8.14676e-09% change) linmin: converged after 28 iterations. iteration 1222: trace = 2.412629764466411 (7.1049e-09% change) linmin: converged after 4 iterations. iteration 1223: trace = 2.41262976422315 (1.00829e-08% change) linmin: converged after 16 iterations. iteration 1224: trace = 2.412629763738716 (2.00791e-08% change) linmin: converged after 6 iterations. iteration 1225: trace = 2.41262976365817 (3.33849e-09% change) large trace change predicted (1.56635e-08%) linmin: converged after 4 iterations. iteration 1226: trace = 2.41262976328028 (1.5663e-08% change) linmin: converged after 4 iterations. iteration 1227: trace = 2.41262976316001 (4.98504e-09% change) linmin: converged after 4 iterations. iteration 1228: trace = 2.412629763077586 (3.41633e-09% change) linmin: converged after 4 iterations. iteration 1229: trace = 2.412629762939686 (5.71575e-09% change) linmin: converged after 4 iterations. iteration 1230: trace = 2.412629762806806 (5.5077e-09% change) linmin: converged after 4 iterations. iteration 1231: trace = 2.412629762779829 (1.11814e-09% change) large trace change predicted (3.5532e-09%) linmin: converged after 4 iterations. iteration 1232: trace = 2.412629762694108 (3.55304e-09% change) linmin: converged after 21 iterations. iteration 1233: trace = 2.412629762627209 (2.77286e-09% change) linmin: converged after 3 iterations. iteration 1234: trace = 2.412629762568392 (2.43786e-09% change) linmin: converged after 9 iterations. iteration 1235: trace = 2.412629762521448 (1.94579e-09% change) linmin: converged after 4 iterations. iteration 1236: trace = 2.412629762445655 (3.14152e-09% change) linmin: converged after 5 iterations. iteration 1237: trace = 2.412629762375072 (2.92555e-09% change) large trace change predicted (6.31799e-09%) linmin: converged after 11 iterations. iteration 1238: trace = 2.412629762222643 (6.31795e-09% change) linmin: converged after 8 iterations. iteration 1239: trace = 2.412629762184815 (1.56791e-09% change) linmin: converged after 5 iterations. iteration 1240: trace = 2.412629762112812 (2.98441e-09% change) large trace change predicted (7.91883e-09%) linmin: converged after 11 iterations. iteration 1241: trace = 2.412629761921762 (7.91878e-09% change) linmin: converged after 5 iterations. iteration 1242: trace = 2.412629761883286 (1.59475e-09% change) large trace change predicted (9.75247e-09%) linmin: converged after 10 iterations. iteration 1243: trace = 2.412629761647991 (9.75265e-09% change) linmin: converged after 9 iterations. iteration 1244: trace = 2.412629761353446 (1.22085e-08% change) linmin: converged after 4 iterations. iteration 1245: trace = 2.41262976124769 (4.38344e-09% change) large trace change predicted (1.19549e-08%) linmin: converged after 4 iterations. iteration 1246: trace = 2.412629760959256 (1.19551e-08% change) linmin: converged after 4 iterations. iteration 1247: trace = 2.412629760612473 (1.43737e-08% change) linmin: converged after 4 iterations. iteration 1248: trace = 2.412629760462992 (6.19577e-09% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.412629760194446 (1.11309e-08% change) linmin: converged after 8 iterations. iteration 1250: trace = 2.412629759951864 (1.00547e-08% change) linmin: converged after 27 iterations. iteration 1251: trace = 2.412629759885328 (2.75779e-09% change) linmin: converged after 12 iterations. iteration 1252: trace = 2.412629759834607 (2.10234e-09% change) large trace change predicted (5.97822e-09%) linmin: converged after 10 iterations. iteration 1253: trace = 2.412629759690374 (5.97825e-09% change) linmin: converged after 20 iterations. iteration 1254: trace = 2.412629759672073 (7.58528e-10% change) large trace change predicted (3.82062e-09%) linmin: converged after 5 iterations. iteration 1255: trace = 2.412629759579895 (3.82064e-09% change) linmin: converged after 11 iterations. iteration 1256: trace = 2.412629759521882 (2.40458e-09% change) linmin: converged after 3 iterations. iteration 1257: trace = 2.412629759455324 (2.75871e-09% change) large trace change predicted (1.09699e-08%) linmin: converged after 13 iterations. iteration 1258: trace = 2.412629759190661 (1.09699e-08% change) linmin: converged after 4 iterations. iteration 1259: trace = 2.412629758687304 (2.08634e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.412629758403068 (1.17812e-08% change) linmin: converged after 4 iterations. iteration 1261: trace = 2.41262975811653 (1.18766e-08% change) linmin: converged after 3 iterations. iteration 1262: trace = 2.412629757969919 (6.07682e-09% change) linmin: converged after 3 iterations. iteration 1263: trace = 2.412629757951111 (7.79549e-10% change) large trace change predicted (4.19829e-09%) linmin: converged after 4 iterations. iteration 1264: trace = 2.412629757849825 (4.19816e-09% change) linmin: converged after 2 iterations. iteration 1265: trace = 2.412629757797073 (2.18648e-09% change) linmin: converged after 17 iterations. iteration 1266: trace = 2.412629757771454 (1.06187e-09% change) large trace change predicted (2.59219e-09%) linmin: converged after 17 iterations. iteration 1267: trace = 2.412629757708914 (2.5922e-09% change) linmin: converged after 5 iterations. iteration 1268: trace = 2.412629757618206 (3.75971e-09% change) linmin: converged after 4 iterations. iteration 1269: trace = 2.412629757582608 (1.47551e-09% change) large trace change predicted (9.2565e-09%) linmin: converged after 20 iterations. iteration 1270: trace = 2.412629757359284 (9.25644e-09% change) linmin: converged after 24 iterations. iteration 1271: trace = 2.412629757322857 (1.50986e-09% change) large trace change predicted (1.13556e-08%) linmin: converged after 4 iterations. iteration 1272: trace = 2.412629757048892 (1.13554e-08% change) linmin: converged after 31 iterations. iteration 1273: trace = 2.41262975688696 (6.71184e-09% change) linmin: converged after 36 iterations. iteration 1274: trace = 2.412629756796004 (3.77e-09% change) large trace change predicted (9.20514e-09%) linmin: converged after 3 iterations. iteration 1275: trace = 2.412629756573922 (9.20499e-09% change) linmin: converged after 22 iterations. iteration 1276: trace = 2.412629756372835 (8.33475e-09% change) linmin: converged after 4 iterations. iteration 1277: trace = 2.412629756300533 (2.99682e-09% change) linmin: converged after 6 iterations. iteration 1278: trace = 2.412629756169313 (5.43888e-09% change) linmin: converged after 4 iterations. iteration 1279: trace = 2.412629756101116 (2.82667e-09% change) linmin: converged after 4 iterations. iteration 1280: trace = 2.412629756055817 (1.87757e-09% change) linmin: converged after 19 iterations. iteration 1281: trace = 2.412629755978922 (3.1872e-09% change) linmin: converged after 4 iterations. iteration 1282: trace = 2.412629755899365 (3.2975e-09% change) linmin: converged after 7 iterations. iteration 1283: trace = 2.412629755862773 (1.51671e-09% change) linmin: converged after 5 iterations. iteration 1284: trace = 2.412629755800608 (2.57663e-09% change) linmin: converged after 16 iterations. iteration 1285: trace = 2.412629755754418 (1.91452e-09% change) linmin: converged after 5 iterations. iteration 1286: trace = 2.412629755727499 (1.11577e-09% change) linmin: converged after 19 iterations. iteration 1287: trace = 2.412629755675949 (2.13665e-09% change) linmin: converged after 4 iterations. iteration 1288: trace = 2.412629755626821 (2.03628e-09% change) linmin: converged after 18 iterations. iteration 1289: trace = 2.41262975559902 (1.15232e-09% change) linmin: converged after 9 iterations. iteration 1290: trace = 2.412629755557325 (1.72822e-09% change) linmin: converged after 21 iterations. iteration 1291: trace = 2.412629755503062 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 1292: trace = 2.412629755473369 (1.23074e-09% change) large trace change predicted (4.96358e-09%) linmin: converged after 4 iterations. iteration 1293: trace = 2.412629755353613 (4.9637e-09% change) linmin: converged after 7 iterations. iteration 1294: trace = 2.412629755130609 (9.2432e-09% change) linmin: converged after 13 iterations. iteration 1295: trace = 2.412629755089958 (1.68491e-09% change) large trace change predicted (7.00599e-09%) linmin: converged after 28 iterations. iteration 1296: trace = 2.412629754920927 (7.00611e-09% change) linmin: converged after 6 iterations. iteration 1297: trace = 2.412629754780025 (5.84018e-09% change) linmin: converged after 4 iterations. iteration 1298: trace = 2.412629754738522 (1.72025e-09% change) large trace change predicted (7.32623e-09%) linmin: converged after 4 iterations. iteration 1299: trace = 2.412629754561764 (7.32637e-09% change) linmin: converged after 21 iterations. iteration 1300: trace = 2.41262975447545 (3.57756e-09% change) linmin: converged after 13 iterations. iteration 1301: trace = 2.412629754451083 (1.01e-09% change) large trace change predicted (2.75553e-09%) linmin: converged after 9 iterations. iteration 1302: trace = 2.412629754384601 (2.75556e-09% change) linmin: converged after 4 iterations. iteration 1303: trace = 2.412629754343693 (1.6956e-09% change) linmin: converged after 6 iterations. iteration 1304: trace = 2.412629754321721 (9.10716e-10% change) linmin: converged after 6 iterations. iteration 1305: trace = 2.412629754278328 (1.79857e-09% change) linmin: converged after 18 iterations. iteration 1306: trace = 2.412629754205129 (3.03398e-09% change) linmin: converged after 9 iterations. iteration 1307: trace = 2.412629754192434 (5.26178e-10% change) large trace change predicted (1.46362e-09%) linmin: converged after 14 iterations. iteration 1308: trace = 2.412629754157123 (1.4636e-09% change) linmin: converged after 2 iterations. iteration 1309: trace = 2.412629754126994 (1.24879e-09% change) linmin: converged after 4 iterations. iteration 1310: trace = 2.412629754120228 (2.80428e-10% change) large trace change predicted (1.85012e-09%) linmin: converged after 16 iterations. iteration 1311: trace = 2.412629754075593 (1.85007e-09% change) linmin: converged after 16 iterations. iteration 1312: trace = 2.412629754062514 (5.421e-10% change) large trace change predicted (1.61598e-09%) linmin: converged after 20 iterations. iteration 1313: trace = 2.412629754023526 (1.61601e-09% change) linmin: converged after 12 iterations. iteration 1314: trace = 2.412629753955653 (2.81323e-09% change) linmin: converged after 19 iterations. iteration 1315: trace = 2.412629753941416 (5.90105e-10% change) large trace change predicted (3.88577e-09%) linmin: converged after 18 iterations. iteration 1316: trace = 2.412629753847672 (3.88554e-09% change) linmin: converged after 12 iterations. iteration 1317: trace = 2.412629753759094 (3.67145e-09% change) linmin: converged after 6 iterations. iteration 1318: trace = 2.41262975366887 (3.73965e-09% change) linmin: converged after 5 iterations. iteration 1319: trace = 2.412629753550369 (4.91168e-09% change) linmin: converged after 4 iterations. iteration 1320: trace = 2.41262975341825 (5.47615e-09% change) linmin: converged after 4 iterations. iteration 1321: trace = 2.412629753381659 (1.51663e-09% change) linmin: converged after 3 iterations. iteration 1322: trace = 2.412629753345888 (1.48267e-09% change) linmin: converged after 26 iterations. iteration 1323: trace = 2.412629753275121 (2.93319e-09% change) linmin: converged after 2 iterations. iteration 1324: trace = 2.412629753248529 (1.1022e-09% change) linmin: converged after 3 iterations. iteration 1325: trace = 2.412629753216334 (1.33442e-09% change) linmin: converged after 20 iterations. iteration 1326: trace = 2.412629753175231 (1.70366e-09% change) linmin: converged after 3 iterations. iteration 1327: trace = 2.412629753166419 (3.65229e-10% change) large trace change predicted (8.33496e-10%) linmin: converged after 13 iterations. iteration 1328: trace = 2.412629753146312 (8.33407e-10% change) linmin: converged after 22 iterations. iteration 1329: trace = 2.41262975312966 (6.90202e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1330: trace = 2.412629753113944 (6.51437e-10% change) linmin: converged after 4 iterations. iteration 1331: trace = 2.41262975310547 (3.51203e-10% change) large trace change predicted (8.09736e-10%) linmin: converged after 6 iterations. iteration 1332: trace = 2.412629753085936 (8.09662e-10% change) linmin: converged after 5 iterations. iteration 1333: trace = 2.412629753052768 (1.37479e-09% change) linmin: converged after 10 iterations. iteration 1334: trace = 2.412629753040219 (5.20122e-10% change) large trace change predicted (1.78892e-09%) linmin: converged after 4 iterations. iteration 1335: trace = 2.41262975299706 (1.78889e-09% change) linmin: converged after 5 iterations. iteration 1336: trace = 2.412629752965091 (1.32505e-09% change) linmin: converged after 6 iterations. iteration 1337: trace = 2.412629752945569 (8.09165e-10% change) large trace change predicted (3.05913e-09%) linmin: converged after 7 iterations. iteration 1338: trace = 2.412629752871764 (3.05913e-09% change) linmin: converged after 3 iterations. iteration 1339: trace = 2.412629752820387 (2.12949e-09% change) linmin: converged after 26 iterations. iteration 1340: trace = 2.412629752730404 (3.72965e-09% change) linmin: converged after 30 iterations. iteration 1341: trace = 2.412629752576589 (6.37542e-09% change) linmin: converged after 18 iterations. iteration 1342: trace = 2.412629752541684 (1.44674e-09% change) linmin: converged after 5 iterations. iteration 1343: trace = 2.412629752489064 (2.18105e-09% change) linmin: converged after 20 iterations. iteration 1344: trace = 2.412629752408595 (3.3353e-09% change) linmin: converged after 6 iterations. iteration 1345: trace = 2.412629752390427 (7.53061e-10% change) large trace change predicted (1.76646e-09%) linmin: converged after 19 iterations. iteration 1346: trace = 2.412629752347809 (1.76643e-09% change) linmin: converged after 16 iterations. iteration 1347: trace = 2.412629752316869 (1.28242e-09% change) linmin: converged after 3 iterations. iteration 1348: trace = 2.412629752309474 (3.06511e-10% change) large trace change predicted (9.95816e-10%) linmin: converged after 8 iterations. iteration 1349: trace = 2.412629752285447 (9.95903e-10% change) linmin: converged after 11 iterations. iteration 1350: trace = 2.412629752265845 (8.1246e-10% change) linmin: converged after 4 iterations. iteration 1351: trace = 2.41262975225803 (3.23942e-10% change) large trace change predicted (1.54914e-09%) linmin: converged after 4 iterations. iteration 1352: trace = 2.412629752220654 (1.54918e-09% change) linmin: converged after 23 iterations. iteration 1353: trace = 2.41262975217518 (1.88481e-09% change) linmin: converged after 3 iterations. iteration 1354: trace = 2.412629752156924 (7.56706e-10% change) linmin: converged after 5 iterations. iteration 1355: trace = 2.412629752131041 (1.07281e-09% change) linmin: converged after 17 iterations. iteration 1356: trace = 2.412629752085078 (1.90509e-09% change) linmin: converged after 6 iterations. iteration 1357: trace = 2.412629752074819 (4.25235e-10% change) large trace change predicted (2.12802e-09%) linmin: converged after 4 iterations. iteration 1358: trace = 2.412629752023481 (2.12787e-09% change) linmin: converged after 8 iterations. iteration 1359: trace = 2.412629751981527 (1.73895e-09% change) linmin: converged after 17 iterations. iteration 1360: trace = 2.412629751944225 (1.5461e-09% change) large trace change predicted (4.76551e-09%) linmin: converged after 38 iterations. iteration 1361: trace = 2.412629751829252 (4.76546e-09% change) linmin: converged after 23 iterations. iteration 1362: trace = 2.41262975175023 (3.27535e-09% change) linmin: converged after 4 iterations. iteration 1363: trace = 2.412629751610702 (5.78323e-09% change) linmin: converged after 11 iterations. iteration 1364: trace = 2.412629751584542 (1.08429e-09% change) large trace change predicted (5.7426e-09%) linmin: converged after 4 iterations. iteration 1365: trace = 2.412629751446 (5.74235e-09% change) linmin: converged after 2 iterations. iteration 1366: trace = 2.412629751418911 (1.12282e-09% change) linmin: converged after 4 iterations. iteration 1367: trace = 2.41262975136887 (2.07412e-09% change) linmin: converged after 14 iterations. iteration 1368: trace = 2.412629751336435 (1.3444e-09% change) linmin: converged after 7 iterations. iteration 1369: trace = 2.412629751318617 (7.38501e-10% change) linmin: converged after 7 iterations. iteration 1370: trace = 2.412629751291465 (1.12545e-09% change) linmin: converged after 29 iterations. iteration 1371: trace = 2.412629751262939 (1.18235e-09% change) linmin: converged after 4 iterations. iteration 1372: trace = 2.412629751256097 (2.83576e-10% change) large trace change predicted (1.53099e-09%) linmin: converged after 20 iterations. iteration 1373: trace = 2.412629751219159 (1.53105e-09% change) linmin: converged after 20 iterations. iteration 1374: trace = 2.412629751209374 (4.05558e-10% change) linmin: converged after 4 iterations. iteration 1375: trace = 2.412629751192561 (6.96865e-10% change) large trace change predicted (1.48134e-09%) linmin: converged after 3 iterations. iteration 1376: trace = 2.412629751156823 (1.48129e-09% change) linmin: converged after 22 iterations. iteration 1377: trace = 2.412629751133428 (9.6971e-10% change) linmin: converged after 4 iterations. iteration 1378: trace = 2.412629751094383 (1.61837e-09% change) linmin: converged after 5 iterations. iteration 1379: trace = 2.41262975105243 (1.73886e-09% change) linmin: converged after 8 iterations. iteration 1380: trace = 2.412629751026316 (1.0824e-09% change) linmin: converged after 24 iterations. iteration 1381: trace = 2.412629750994994 (1.29825e-09% change) large trace change predicted (2.78871e-09%) linmin: converged after 3 iterations. iteration 1382: trace = 2.412629750927713 (2.78871e-09% change) linmin: converged after 4 iterations. iteration 1383: trace = 2.412629750893042 (1.43704e-09% change) large trace change predicted (4.17762e-09%) linmin: converged after 4 iterations. iteration 1384: trace = 2.412629750792253 (4.17758e-09% change) linmin: converged after 2 iterations. iteration 1385: trace = 2.412629750676369 (4.80321e-09% change) linmin: converged after 7 iterations. iteration 1386: trace = 2.412629750634743 (1.72533e-09% change) linmin: converged after 5 iterations. iteration 1387: trace = 2.41262975057034 (2.66944e-09% change) linmin: converged after 22 iterations. iteration 1388: trace = 2.412629750457476 (4.67803e-09% change) linmin: converged after 18 iterations. iteration 1389: trace = 2.412629750378807 (3.26072e-09% change) linmin: converged after 11 iterations. iteration 1390: trace = 2.412629750357319 (8.90634e-10% change) large trace change predicted (1.98476e-09%) linmin: converged after 7 iterations. iteration 1391: trace = 2.412629750309435 (1.98474e-09% change) linmin: converged after 4 iterations. iteration 1392: trace = 2.412629750296993 (5.15705e-10% change) linmin: converged after 15 iterations. iteration 1393: trace = 2.412629750281789 (6.30159e-10% change) linmin: converged after 6 iterations. iteration 1394: trace = 2.412629750260155 (8.96708e-10% change) linmin: converged after 4 iterations. iteration 1395: trace = 2.412629750243505 (6.90128e-10% change) linmin: converged after 12 iterations. iteration 1396: trace = 2.412629750217601 (1.07369e-09% change) large trace change predicted (2.59823e-09%) linmin: converged after 8 iterations. iteration 1397: trace = 2.412629750154915 (2.59824e-09% change) linmin: converged after 3 iterations. iteration 1398: trace = 2.412629750078494 (3.16752e-09% change) linmin: converged after 4 iterations. iteration 1399: trace = 2.41262974994574 (5.50247e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1400: trace = 2.412629749819749 (5.22215e-09% change) linmin: converged after 5 iterations. iteration 1401: trace = 2.412629749751933 (2.81087e-09% change) linmin: converged after 4 iterations. iteration 1402: trace = 2.412629749698149 (2.22925e-09% change) linmin: converged after 5 iterations. iteration 1403: trace = 2.412629749692536 (2.32644e-10% change) large trace change predicted (1.42206e-09%) linmin: converged after 3 iterations. iteration 1404: trace = 2.412629749658227 (1.42208e-09% change) linmin: converged after 4 iterations. iteration 1405: trace = 2.412629749641997 (6.72697e-10% change) linmin: converged after 2 iterations. iteration 1406: trace = 2.412629749634914 (2.93571e-10% change) large trace change predicted (7.49452e-10%) linmin: converged after 11 iterations. iteration 1407: trace = 2.412629749616837 (7.49288e-10% change) linmin: converged after 3 iterations. iteration 1408: trace = 2.412629749586436 (1.2601e-09% change) linmin: converged after 7 iterations. iteration 1409: trace = 2.412629749575634 (4.4771e-10% change) large trace change predicted (2.98924e-09%) linmin: converged after 3 iterations. iteration 1410: trace = 2.412629749503512 (2.98933e-09% change) linmin: converged after 25 iterations. iteration 1411: trace = 2.412629749486532 (7.03823e-10% change) large trace change predicted (3.01966e-09%) linmin: converged after 9 iterations. iteration 1412: trace = 2.412629749413679 (3.01966e-09% change) linmin: converged after 25 iterations. iteration 1413: trace = 2.412629749362348 (2.12759e-09% change) linmin: converged after 6 iterations. iteration 1414: trace = 2.412629749338989 (9.68164e-10% change) large trace change predicted (3.3795e-09%) linmin: converged after 25 iterations. iteration 1415: trace = 2.412629749257451 (3.37965e-09% change) linmin: converged after 8 iterations. iteration 1416: trace = 2.412629749190502 (2.77494e-09% change) linmin: converged after 4 iterations. iteration 1417: trace = 2.412629749167928 (9.35639e-10% change) linmin: converged after 7 iterations. iteration 1418: trace = 2.412629749125469 (1.7599e-09% change) linmin: converged after 5 iterations. iteration 1419: trace = 2.412629749100264 (1.04472e-09% change) linmin: converged after 3 iterations. iteration 1420: trace = 2.412629749087404 (5.33026e-10% change) linmin: converged after 3 iterations. iteration 1421: trace = 2.412629749061757 (1.063e-09% change) linmin: converged after 8 iterations. iteration 1422: trace = 2.412629749030433 (1.29836e-09% change) linmin: converged after 6 iterations. iteration 1423: trace = 2.412629749023464 (2.88822e-10% change) large trace change predicted (8.34128e-10%) linmin: converged after 20 iterations. iteration 1424: trace = 2.412629749003337 (8.34235e-10% change) linmin: converged after 4 iterations. iteration 1425: trace = 2.41262974898694 (6.79636e-10% change) linmin: converged after 3 iterations. iteration 1426: trace = 2.41262974898109 (2.42473e-10% change) large trace change predicted (7.83365e-10%) linmin: converged after 3 iterations. iteration 1427: trace = 2.412629748962192 (7.83322e-10% change) linmin: converged after 5 iterations. iteration 1428: trace = 2.412629748948603 (5.63231e-10% change) linmin: converged after 4 iterations. iteration 1429: trace = 2.412629748937308 (4.68178e-10% change) linmin: converged after 3 iterations. iteration 1430: trace = 2.412629748929442 (3.26004e-10% change) large trace change predicted (8.77666e-10%) linmin: converged after 4 iterations. iteration 1431: trace = 2.412629748908268 (8.77639e-10% change) linmin: converged after 7 iterations. iteration 1432: trace = 2.412629748876144 (1.3315e-09% change) linmin: converged after 5 iterations. iteration 1433: trace = 2.412629748860835 (6.34521e-10% change) large trace change predicted (2.51257e-09%) linmin: converged after 4 iterations. iteration 1434: trace = 2.412629748800216 (2.51261e-09% change) linmin: converged after 4 iterations. iteration 1435: trace = 2.412629748773778 (1.0958e-09% change) linmin: converged after 21 iterations. iteration 1436: trace = 2.412629748749619 (1.00137e-09% change) large trace change predicted (3.0094e-09%) linmin: converged after 6 iterations. iteration 1437: trace = 2.412629748677013 (3.00939e-09% change) linmin: converged after 8 iterations. iteration 1438: trace = 2.412629748654842 (9.18962e-10% change) large trace change predicted (2.02839e-09%) linmin: converged after 10 iterations. iteration 1439: trace = 2.412629748605904 (2.0284e-09% change) linmin: converged after 11 iterations. iteration 1440: trace = 2.412629748577102 (1.19383e-09% change) linmin: converged after 8 iterations. iteration 1441: trace = 2.412629748569874 (2.99572e-10% change) large trace change predicted (7.8711e-10%) linmin: converged after 15 iterations. iteration 1442: trace = 2.412629748550884 (7.87095e-10% change) linmin: converged after 4 iterations. iteration 1443: trace = 2.412629748537106 (5.71073e-10% change) linmin: converged after 3 iterations. iteration 1444: trace = 2.412629748531079 (2.49818e-10% change) large trace change predicted (7.90534e-10%) linmin: converged after 14 iterations. iteration 1445: trace = 2.412629748512004 (7.90648e-10% change) linmin: converged after 4 iterations. iteration 1446: trace = 2.412629748491366 (8.55422e-10% change) linmin: converged after 12 iterations. iteration 1447: trace = 2.412629748485337 (2.49891e-10% change) linmin: converged after 4 iterations. iteration 1448: trace = 2.412629748477658 (3.18273e-10% change) linmin: converged after 3 iterations. iteration 1449: trace = 2.412629748463154 (6.01186e-10% change) linmin: converged after 11 iterations. iteration 1450: trace = 2.412629748461276 (7.78058e-11% change) Finished solving for bands 1 to 10 after 1450 iterations. tmfreqs:, 2, 0.166667, 0, 0, 0.166667, 0.123306, 0.278292, 0.357366, 0.369461, 0.503797, 0.506642, 0.538217, 0.63557, 0.645595, 0.659431 elapsed time for k point: 31.108556270599365 solve_kpoint (0.333333,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.507715013500321 (1.59188% change) linmin: converged after 4 iterations. iteration 2: trace = 2.48528020999652 (0.898651% change) linmin: converged after 4 iterations. iteration 3: trace = 2.473301668809589 (0.483144% change) linmin: converged after 4 iterations. iteration 4: trace = 2.471539824093187 (0.0712599% change) large trace change predicted (0.21936%) linmin: converged after 3 iterations. iteration 5: trace = 2.4660608928099 (0.221927% change) linmin: converged after 4 iterations. iteration 6: trace = 2.464719232219719 (0.0544198% change) linmin: converged after 4 iterations. iteration 7: trace = 2.463637581034678 (0.043895% change) linmin: converged after 3 iterations. iteration 8: trace = 2.462594976452837 (0.0423287% change) linmin: converged after 4 iterations. iteration 9: trace = 2.462288860485469 (0.0124314% change) linmin: converged after 3 iterations. iteration 10: trace = 2.461754135972082 (0.0217189% change) linmin: converged after 4 iterations. iteration 11: trace = 2.461486359895726 (0.010878% change) linmin: converged after 3 iterations. iteration 12: trace = 2.461342115693983 (0.00586022% change) large trace change predicted (0.0129828%) linmin: converged after 3 iterations. iteration 13: trace = 2.461021993058262 (0.0130069% change) linmin: converged after 3 iterations. iteration 14: trace = 2.460941646280677 (0.00326483% change) large trace change predicted (0.00700934%) linmin: converged after 5 iterations. iteration 15: trace = 2.460769355102161 (0.00700127% change) linmin: converged after 4 iterations. iteration 16: trace = 2.460657437146487 (0.00454819% change) linmin: converged after 4 iterations. iteration 17: trace = 2.460572972039462 (0.00343268% change) linmin: converged after 3 iterations. iteration 18: trace = 2.460448777277779 (0.00504752% change) linmin: converged after 4 iterations. iteration 19: trace = 2.460371595384342 (0.00313695% change) large trace change predicted (0.00795712%) linmin: converged after 3 iterations. iteration 20: trace = 2.460175550067935 (0.00796844% change) linmin: converged after 4 iterations. iteration 21: trace = 2.459921489231147 (0.0103275% change) linmin: converged after 3 iterations. iteration 22: trace = 2.459714779420329 (0.00840346% change) linmin: converged after 4 iterations. iteration 23: trace = 2.459367418867792 (0.014123% change) linmin: converged after 3 iterations. iteration 24: trace = 2.459093565755497 (0.0111357% change) linmin: converged after 4 iterations. iteration 25: trace = 2.458660729865753 (0.017603% change) linmin: converged after 4 iterations. iteration 26: trace = 2.458377654373728 (0.0115141% change) linmin: converged after 4 iterations. iteration 27: trace = 2.458264533359586 (0.00460156% change) large trace change predicted (0.0113342%) linmin: converged after 4 iterations. iteration 28: trace = 2.457988185589662 (0.0112422% change) linmin: converged after 4 iterations. iteration 29: trace = 2.457776230335834 (0.00862349% change) linmin: converged after 4 iterations. iteration 30: trace = 2.457673430667483 (0.00418272% change) linmin: converged after 4 iterations. iteration 31: trace = 2.457502637450632 (0.00694963% change) linmin: converged after 4 iterations. iteration 32: trace = 2.457366610840274 (0.00553531% change) linmin: converged after 4 iterations. iteration 33: trace = 2.457318141410223 (0.00197243% change) large trace change predicted (0.00496139%) linmin: converged after 4 iterations. iteration 34: trace = 2.45719666449363 (0.0049436% change) linmin: converged after 4 iterations. iteration 35: trace = 2.457145178929106 (0.00209532% change) linmin: converged after 3 iterations. iteration 36: trace = 2.457083155551746 (0.00252424% change) linmin: converged after 3 iterations. iteration 37: trace = 2.457027678650232 (0.00225786% change) linmin: converged after 3 iterations. iteration 38: trace = 2.456985520737245 (0.00171582% change) linmin: converged after 5 iterations. iteration 39: trace = 2.456940398099498 (0.00183652% change) linmin: converged after 3 iterations. iteration 40: trace = 2.456870588542631 (0.00284136% change) linmin: converged after 16 iterations. iteration 41: trace = 2.456834102876451 (0.00148506% change) linmin: converged after 3 iterations. iteration 42: trace = 2.456764643014718 (0.00282725% change) linmin: converged after 3 iterations. iteration 43: trace = 2.456635619690104 (0.0052519% change) linmin: converged after 3 iterations. iteration 44: trace = 2.456573791453809 (0.00251682% change) linmin: converged after 3 iterations. iteration 45: trace = 2.456461950581282 (0.00455282% change) large trace change predicted (0.00975558%) linmin: converged after 4 iterations. iteration 46: trace = 2.456219651926118 (0.00986421% change) linmin: converged after 5 iterations. iteration 47: trace = 2.456162757439065 (0.00231637% change) large trace change predicted (0.0100927%) linmin: converged after 4 iterations. iteration 48: trace = 2.455911989227354 (0.0102103% change) linmin: converged after 4 iterations. iteration 49: trace = 2.455767984996402 (0.00586375% change) linmin: converged after 3 iterations. iteration 50: trace = 2.45570919323175 (0.00239406% change) large trace change predicted (0.00907606%) linmin: converged after 4 iterations. iteration 51: trace = 2.455485586478819 (0.009106% change) linmin: converged after 3 iterations. iteration 52: trace = 2.455408421770237 (0.00314259% change) linmin: converged after 5 iterations. iteration 53: trace = 2.455346800236946 (0.00250966% change) large trace change predicted (0.00508914%) linmin: converged after 3 iterations. iteration 54: trace = 2.455221553041151 (0.00510113% change) linmin: converged after 4 iterations. iteration 55: trace = 2.455181142536057 (0.00164591% change) linmin: converged after 4 iterations. iteration 56: trace = 2.455133850978456 (0.00192621% change) linmin: converged after 3 iterations. iteration 57: trace = 2.45508475338744 (0.00199981% change) linmin: converged after 3 iterations. iteration 58: trace = 2.455067736885653 (0.000693115% change) linmin: converged after 3 iterations. iteration 59: trace = 2.455040943356326 (0.00109136% change) linmin: converged after 3 iterations. iteration 60: trace = 2.455009450846728 (0.00128278% change) linmin: converged after 4 iterations. iteration 61: trace = 2.45499616039942 (0.000541362% change) large trace change predicted (0.0017176%) linmin: converged after 3 iterations. iteration 62: trace = 2.454953925936154 (0.00172036% change) linmin: converged after 3 iterations. iteration 63: trace = 2.454878251721301 (0.00308256% change) linmin: converged after 3 iterations. iteration 64: trace = 2.45485595319902 (0.000908339% change) large trace change predicted (0.00569508%) linmin: converged after 4 iterations. iteration 65: trace = 2.454716341330333 (0.00568733% change) linmin: converged after 4 iterations. iteration 66: trace = 2.454626511948231 (0.00365953% change) linmin: converged after 4 iterations. iteration 67: trace = 2.454576867917396 (0.00202249% change) large trace change predicted (0.00626727%) linmin: converged after 4 iterations. iteration 68: trace = 2.4544235147708 (0.00624784% change) linmin: converged after 5 iterations. iteration 69: trace = 2.454355010586454 (0.00279109% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.454328477289044 (0.00108108% change) linmin: converged after 3 iterations. iteration 71: trace = 2.454278839753036 (0.00202247% change) linmin: converged after 3 iterations. iteration 72: trace = 2.454244477872561 (0.00140009% change) linmin: converged after 4 iterations. iteration 73: trace = 2.454223703190259 (0.000846483% change) linmin: converged after 5 iterations. iteration 74: trace = 2.45418628020539 (0.00152485% change) linmin: converged after 4 iterations. iteration 75: trace = 2.454172036936939 (0.000580368% change) linmin: converged after 3 iterations. iteration 76: trace = 2.454154089436407 (0.000731308% change) linmin: converged after 3 iterations. iteration 77: trace = 2.454136795438855 (0.000704685% change) linmin: converged after 3 iterations. iteration 78: trace = 2.454129151862432 (0.000311457% change) linmin: converged after 4 iterations. iteration 79: trace = 2.454118035268464 (0.000452976% change) linmin: converged after 4 iterations. iteration 80: trace = 2.454102260528592 (0.000642789% change) linmin: converged after 3 iterations. iteration 81: trace = 2.454096757572787 (0.000224235% change) large trace change predicted (0.00056909%) linmin: converged after 18 iterations. iteration 82: trace = 2.454082793049214 (0.000569031% change) linmin: converged after 3 iterations. iteration 83: trace = 2.454063709500942 (0.000777627% change) linmin: converged after 5 iterations. iteration 84: trace = 2.454052426893497 (0.000459753% change) linmin: converged after 3 iterations. iteration 85: trace = 2.45403231975589 (0.000819348% change) linmin: converged after 6 iterations. iteration 86: trace = 2.454005420785707 (0.00109612% change) linmin: converged after 3 iterations. iteration 87: trace = 2.453992678868211 (0.000519231% change) large trace change predicted (0.00138502%) linmin: converged after 3 iterations. iteration 88: trace = 2.45395870180429 (0.00138457% change) linmin: converged after 3 iterations. iteration 89: trace = 2.453920095158528 (0.00157325% change) linmin: converged after 5 iterations. iteration 90: trace = 2.453895776535403 (0.000991016% change) linmin: converged after 4 iterations. iteration 91: trace = 2.453861569925937 (0.00139398% change) linmin: converged after 5 iterations. iteration 92: trace = 2.453828708224135 (0.00133919% change) linmin: converged after 3 iterations. iteration 93: trace = 2.453821520412153 (0.000292923% change) large trace change predicted (0.00127953%) linmin: converged after 3 iterations. iteration 94: trace = 2.45379012513886 (0.00127945% change) linmin: converged after 4 iterations. iteration 95: trace = 2.453783187306064 (0.00028274% change) large trace change predicted (0.000821604%) linmin: converged after 5 iterations. iteration 96: trace = 2.453763042095549 (0.000820989% change) linmin: converged after 3 iterations. iteration 97: trace = 2.453747552306301 (0.000631269% change) linmin: converged after 3 iterations. iteration 98: trace = 2.45373481336383 (0.000519164% change) linmin: converged after 9 iterations. iteration 99: trace = 2.453728896648076 (0.000241131% change) large trace change predicted (0.000527786%) linmin: converged after 3 iterations. iteration 100: trace = 2.453715944494904 (0.000527857% change) linmin: converged after 6 iterations. iteration 101: trace = 2.453709487077376 (0.000263169% change) linmin: converged after 4 iterations. iteration 102: trace = 2.453702304612765 (0.000292719% change) large trace change predicted (0.000652321%) linmin: converged after 3 iterations. iteration 103: trace = 2.453686305499716 (0.000652042% change) linmin: converged after 3 iterations. iteration 104: trace = 2.453675411971727 (0.000443967% change) large trace change predicted (0.00094451%) linmin: converged after 3 iterations. iteration 105: trace = 2.453652247573009 (0.000944074% change) large trace change predicted (0.00210245%) linmin: converged after 3 iterations. iteration 106: trace = 2.453600498136451 (0.0021091% change) linmin: converged after 6 iterations. iteration 107: trace = 2.453583886977787 (0.000677014% change) large trace change predicted (0.00177486%) linmin: converged after 3 iterations. iteration 108: trace = 2.453540160983188 (0.00178214% change) linmin: converged after 6 iterations. iteration 109: trace = 2.453478789390969 (0.00250138% change) linmin: converged after 4 iterations. iteration 110: trace = 2.453465572933498 (0.000538684% change) large trace change predicted (0.00221576%) linmin: converged after 3 iterations. iteration 111: trace = 2.453411124478905 (0.00221927% change) linmin: converged after 5 iterations. iteration 112: trace = 2.453386444291661 (0.00100596% change) linmin: converged after 3 iterations. iteration 113: trace = 2.45337712943749 (0.000379674% change) large trace change predicted (0.00112525%) linmin: converged after 3 iterations. iteration 114: trace = 2.453349522637513 (0.00112526% change) linmin: converged after 4 iterations. iteration 115: trace = 2.453339285524864 (0.000417272% change) linmin: converged after 4 iterations. iteration 116: trace = 2.45332919492646 (0.000411301% change) linmin: converged after 5 iterations. iteration 117: trace = 2.453316419398547 (0.000520744% change) linmin: converged after 3 iterations. iteration 118: trace = 2.453302879199866 (0.000551916% change) linmin: converged after 3 iterations. iteration 119: trace = 2.453296824394041 (0.000246803% change) large trace change predicted (0.000596263%) linmin: converged after 5 iterations. iteration 120: trace = 2.4532821935248 (0.000596378% change) linmin: converged after 3 iterations. iteration 121: trace = 2.453276407004818 (0.000235869% change) large trace change predicted (0.000479936%) linmin: converged after 4 iterations. iteration 122: trace = 2.453264638274427 (0.000479716% change) linmin: converged after 3 iterations. iteration 123: trace = 2.453247877300077 (0.000683213% change) linmin: converged after 5 iterations. iteration 124: trace = 2.453237453836852 (0.000424885% change) large trace change predicted (0.00103613%) linmin: converged after 3 iterations. iteration 125: trace = 2.453211990348086 (0.00103796% change) linmin: converged after 4 iterations. iteration 126: trace = 2.453162257267274 (0.00202728% change) linmin: converged after 3 iterations. iteration 127: trace = 2.453137783433483 (0.000997649% change) large trace change predicted (0.00306077%) linmin: converged after 3 iterations. iteration 128: trace = 2.453062415382322 (0.00307236% change) linmin: converged after 3 iterations. iteration 129: trace = 2.452971265738064 (0.00371582% change) linmin: converged after 4 iterations. iteration 130: trace = 2.452952700391475 (0.000756854% change) linmin: converged after 3 iterations. iteration 131: trace = 2.452920093231408 (0.00132931% change) linmin: converged after 3 iterations. iteration 132: trace = 2.452897750611001 (0.000910862% change) linmin: converged after 3 iterations. iteration 133: trace = 2.452890963400742 (0.000276702% change) large trace change predicted (0.00127999%) linmin: converged after 3 iterations. iteration 134: trace = 2.452859550702632 (0.00128065% change) linmin: converged after 3 iterations. iteration 135: trace = 2.452842480214987 (0.000695945% change) linmin: converged after 4 iterations. iteration 136: trace = 2.452829253322024 (0.000539249% change) linmin: converged after 7 iterations. iteration 137: trace = 2.452814828540929 (0.000588089% change) linmin: converged after 4 iterations. iteration 138: trace = 2.452798402615452 (0.000669679% change) linmin: converged after 3 iterations. iteration 139: trace = 2.452783317054025 (0.000615037% change) resetting CG direction... linmin: converged after 6 iterations. iteration 140: trace = 2.452773239118386 (0.000410878% change) linmin: converged after 3 iterations. iteration 141: trace = 2.452765906645588 (0.000298947% change) linmin: converged after 3 iterations. iteration 142: trace = 2.452757789854903 (0.000330925% change) linmin: converged after 3 iterations. iteration 143: trace = 2.452751232689057 (0.000267339% change) linmin: converged after 5 iterations. iteration 144: trace = 2.452740645469797 (0.000431648% change) linmin: converged after 3 iterations. iteration 145: trace = 2.452728065942691 (0.000512878% change) linmin: converged after 9 iterations. iteration 146: trace = 2.452722082103002 (0.000243967% change) large trace change predicted (0.000700586%) linmin: converged after 3 iterations. iteration 147: trace = 2.452704900530486 (0.000700513% change) linmin: converged after 11 iterations. iteration 148: trace = 2.452684090123353 (0.000848471% change) linmin: converged after 3 iterations. iteration 149: trace = 2.452675971009478 (0.00033103% change) large trace change predicted (0.000949999%) linmin: converged after 4 iterations. iteration 150: trace = 2.452652725700012 (0.000947757% change) linmin: converged after 4 iterations. iteration 151: trace = 2.452626774210859 (0.0010581% change) linmin: converged after 4 iterations. iteration 152: trace = 2.452610362369088 (0.000669156% change) linmin: converged after 4 iterations. iteration 153: trace = 2.452597159031919 (0.00053834% change) linmin: converged after 4 iterations. iteration 154: trace = 2.45258184870426 (0.000624252% change) linmin: converged after 20 iterations. iteration 155: trace = 2.452578180198855 (0.000149577% change) large trace change predicted (0.000379681%) linmin: converged after 5 iterations. iteration 156: trace = 2.452568870595695 (0.000379585% change) linmin: converged after 3 iterations. iteration 157: trace = 2.452560108451076 (0.000357265% change) linmin: converged after 5 iterations. iteration 158: trace = 2.452557614871619 (0.000101673% change) large trace change predicted (0.000264238%) linmin: converged after 3 iterations. iteration 159: trace = 2.452551134330947 (0.000264236% change) linmin: converged after 3 iterations. iteration 160: trace = 2.452546677201936 (0.000181735% change) linmin: converged after 3 iterations. iteration 161: trace = 2.452544920694554 (7.16198e-05% change) large trace change predicted (0.00019641%) linmin: converged after 5 iterations. iteration 162: trace = 2.452540104006271 (0.000196396% change) linmin: converged after 3 iterations. iteration 163: trace = 2.452535541717312 (0.000186023% change) linmin: converged after 4 iterations. iteration 164: trace = 2.452531813445242 (0.000152017% change) linmin: converged after 3 iterations. iteration 165: trace = 2.452526294217913 (0.000225042% change) linmin: converged after 3 iterations. iteration 166: trace = 2.452517827043858 (0.000345244% change) linmin: converged after 3 iterations. iteration 167: trace = 2.452513217895096 (0.000187936% change) large trace change predicted (0.000781591%) linmin: converged after 3 iterations. iteration 168: trace = 2.452494023160043 (0.000782659% change) linmin: converged after 3 iterations. iteration 169: trace = 2.452488097083015 (0.000241635% change) large trace change predicted (0.000620825%) linmin: converged after 3 iterations. iteration 170: trace = 2.452472861609253 (0.000621227% change) linmin: converged after 3 iterations. iteration 171: trace = 2.45245639810947 (0.000671304% change) linmin: converged after 15 iterations. iteration 172: trace = 2.452449605409325 (0.000276976% change) large trace change predicted (0.000579008%) linmin: converged after 3 iterations. iteration 173: trace = 2.452435388974691 (0.000579685% change) linmin: converged after 3 iterations. iteration 174: trace = 2.452422687950725 (0.000517896% change) linmin: converged after 3 iterations. iteration 175: trace = 2.452419134238198 (0.000144906% change) large trace change predicted (0.00038816%) linmin: converged after 3 iterations. iteration 176: trace = 2.452409613124757 (0.000388234% change) linmin: converged after 4 iterations. iteration 177: trace = 2.452400556861108 (0.000369281% change) linmin: converged after 3 iterations. iteration 178: trace = 2.452398291162955 (9.2387e-05% change) large trace change predicted (0.000270416%) linmin: converged after 4 iterations. iteration 179: trace = 2.452391657613833 (0.000270493% change) linmin: converged after 3 iterations. iteration 180: trace = 2.452387330924724 (0.000176427% change) linmin: converged after 3 iterations. iteration 181: trace = 2.4523860674933 (5.15184e-05% change) large trace change predicted (0.000170884%) linmin: converged after 3 iterations. iteration 182: trace = 2.452381876836483 (0.000170881% change) linmin: converged after 5 iterations. iteration 183: trace = 2.452378540624966 (0.00013604% change) linmin: converged after 3 iterations. iteration 184: trace = 2.452377373785891 (4.75799e-05% change) large trace change predicted (0.000164125%) linmin: converged after 4 iterations. iteration 185: trace = 2.452373348843364 (0.000164124% change) linmin: converged after 4 iterations. iteration 186: trace = 2.45236956406255 (0.000154331% change) linmin: converged after 4 iterations. iteration 187: trace = 2.452367362375959 (8.9778e-05% change) large trace change predicted (0.000421633%) linmin: converged after 4 iterations. iteration 188: trace = 2.452357023716741 (0.00042158% change) linmin: converged after 3 iterations. iteration 189: trace = 2.452351180855028 (0.000238255% change) linmin: converged after 4 iterations. iteration 190: trace = 2.452346342213042 (0.000197306% change) large trace change predicted (0.000555754%) linmin: converged after 8 iterations. iteration 191: trace = 2.452332718408618 (0.000555543% change) linmin: converged after 4 iterations. iteration 192: trace = 2.452329932310918 (0.00011361% change) large trace change predicted (0.000469665%) linmin: converged after 3 iterations. iteration 193: trace = 2.452318419463672 (0.000469467% change) linmin: converged after 4 iterations. iteration 194: trace = 2.452310806699185 (0.000310432% change) linmin: converged after 4 iterations. iteration 195: trace = 2.452306595239687 (0.000171734% change) linmin: converged after 3 iterations. iteration 196: trace = 2.452300679894649 (0.000241216% change) linmin: converged after 3 iterations. iteration 197: trace = 2.452294233265517 (0.000262881% change) linmin: converged after 5 iterations. iteration 198: trace = 2.452293037886536 (4.87453e-05% change) large trace change predicted (0.000208514%) linmin: converged after 3 iterations. iteration 199: trace = 2.452287925037782 (0.000208493% change) linmin: converged after 2 iterations. iteration 200: trace = 2.452285599784019 (9.48198e-05% change) linmin: converged after 3 iterations. iteration 201: trace = 2.452284399178112 (4.89587e-05% change) large trace change predicted (0.000115173%) linmin: converged after 4 iterations. iteration 202: trace = 2.452281574734284 (0.000115176% change) linmin: converged after 3 iterations. iteration 203: trace = 2.452278945289723 (0.000107224% change) linmin: converged after 3 iterations. iteration 204: trace = 2.452277699581643 (5.0798e-05% change) large trace change predicted (0.000117065%) linmin: converged after 3 iterations. iteration 205: trace = 2.452274828216071 (0.00011709% change) linmin: converged after 3 iterations. iteration 206: trace = 2.452269895693254 (0.000201141% change) linmin: converged after 4 iterations. iteration 207: trace = 2.452268046792499 (7.53955e-05% change) large trace change predicted (0.000298695%) linmin: converged after 3 iterations. iteration 208: trace = 2.452260717057202 (0.000298897% change) linmin: converged after 4 iterations. iteration 209: trace = 2.452253800395948 (0.000282053% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.452249746888318 (0.000165297% change) linmin: converged after 3 iterations. iteration 211: trace = 2.452242199306653 (0.000307782% change) linmin: converged after 3 iterations. iteration 212: trace = 2.452240704242318 (6.09673e-05% change) large trace change predicted (0.00017397%) linmin: converged after 3 iterations. iteration 213: trace = 2.452236438597145 (0.000173949% change) linmin: converged after 3 iterations. iteration 214: trace = 2.452234126194242 (9.42978e-05% change) linmin: converged after 4 iterations. iteration 215: trace = 2.452232994421651 (4.61527e-05% change) large trace change predicted (9.23426e-05%) linmin: converged after 3 iterations. iteration 216: trace = 2.452230729605565 (9.23573e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 2.452228319208968 (9.82941e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 2.452227371612488 (3.86423e-05% change) large trace change predicted (8.6876e-05%) linmin: converged after 3 iterations. iteration 219: trace = 2.452225240560959 (8.69027e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.452221887549551 (0.000136734% change) linmin: converged after 4 iterations. iteration 221: trace = 2.452220997257352 (3.63055e-05% change) large trace change predicted (0.000109251%) linmin: converged after 3 iterations. iteration 222: trace = 2.452218317694777 (0.000109271% change) linmin: converged after 3 iterations. iteration 223: trace = 2.4522144568305 (0.000157444% change) linmin: converged after 3 iterations. iteration 224: trace = 2.452212849955449 (6.55275e-05% change) large trace change predicted (0.000211977%) linmin: converged after 3 iterations. iteration 225: trace = 2.45220764792341 (0.000212136% change) linmin: converged after 3 iterations. iteration 226: trace = 2.452200748524498 (0.000281355% change) linmin: converged after 3 iterations. iteration 227: trace = 2.452199147868383 (6.52743e-05% change) large trace change predicted (0.000243241%) linmin: converged after 3 iterations. iteration 228: trace = 2.452193182640731 (0.000243261% change) linmin: converged after 3 iterations. iteration 229: trace = 2.45218671280883 (0.000263839% change) linmin: converged after 3 iterations. iteration 230: trace = 2.452184744606105 (8.02632e-05% change) large trace change predicted (0.000256688%) linmin: converged after 4 iterations. iteration 231: trace = 2.452178451657859 (0.000256627% change) linmin: converged after 3 iterations. iteration 232: trace = 2.452174864560567 (0.000146282% change) linmin: converged after 4 iterations. iteration 233: trace = 2.452173678937595 (4.83499e-05% change) large trace change predicted (0.000165078%) linmin: converged after 4 iterations. iteration 234: trace = 2.452169629324308 (0.000165144% change) linmin: converged after 4 iterations. iteration 235: trace = 2.45216724310063 (9.73108e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.452166365072657 (3.58062e-05% change) linmin: converged after 4 iterations. iteration 237: trace = 2.452164771778696 (6.4975e-05% change) linmin: converged after 3 iterations. iteration 238: trace = 2.452162015825438 (0.000112389% change) linmin: converged after 4 iterations. iteration 239: trace = 2.452161270613953 (3.039e-05% change) large trace change predicted (0.000147324%) linmin: converged after 3 iterations. iteration 240: trace = 2.452157657952021 (0.000147326% change) linmin: converged after 3 iterations. iteration 241: trace = 2.45215503816567 (0.000106836% change) linmin: converged after 13 iterations. iteration 242: trace = 2.452153842860271 (4.87451e-05% change) large trace change predicted (0.00017002%) linmin: converged after 3 iterations. iteration 243: trace = 2.45214967442472 (0.000169991% change) linmin: converged after 3 iterations. iteration 244: trace = 2.452145032581745 (0.000189297% change) linmin: converged after 3 iterations. iteration 245: trace = 2.452143142485706 (7.70793e-05% change) large trace change predicted (0.00024728%) linmin: converged after 5 iterations. iteration 246: trace = 2.452137086897752 (0.000246951% change) linmin: converged after 4 iterations. iteration 247: trace = 2.452130482553622 (0.00026933% change) linmin: converged after 4 iterations. iteration 248: trace = 2.45212735789832 (0.000127426% change) large trace change predicted (0.000436201%) linmin: converged after 4 iterations. iteration 249: trace = 2.452116673523768 (0.00043572% change) linmin: converged after 12 iterations. iteration 250: trace = 2.452113220055632 (0.000140836% change) large trace change predicted (0.000317851%) linmin: converged after 8 iterations. iteration 251: trace = 2.452105429251586 (0.000317718% change) linmin: converged after 3 iterations. iteration 252: trace = 2.452101541219746 (0.000158559% change) linmin: converged after 4 iterations. iteration 253: trace = 2.452098420155691 (0.000127281% change) linmin: converged after 3 iterations. iteration 254: trace = 2.452097102922945 (5.37186e-05% change) large trace change predicted (0.00011982%) linmin: converged after 3 iterations. iteration 255: trace = 2.452094165536579 (0.000119791% change) linmin: converged after 4 iterations. iteration 256: trace = 2.452093409256738 (3.08422e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 2.452092180559989 (5.01081e-05% change) linmin: converged after 3 iterations. iteration 258: trace = 2.452089750153706 (9.91157e-05% change) linmin: converged after 7 iterations. iteration 259: trace = 2.452089049649171 (2.85677e-05% change) large trace change predicted (9.01809e-05%) linmin: converged after 3 iterations. iteration 260: trace = 2.452086837208169 (9.02268e-05% change) linmin: converged after 3 iterations. iteration 261: trace = 2.452084807696311 (8.27668e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.452083539625208 (5.1714e-05% change) large trace change predicted (0.000163845%) linmin: converged after 3 iterations. iteration 263: trace = 2.452079520834804 (0.000163893% change) linmin: converged after 4 iterations. iteration 264: trace = 2.452073696472253 (0.000237528% change) linmin: converged after 7 iterations. iteration 265: trace = 2.452071844823495 (7.55136e-05% change) large trace change predicted (0.000294375%) linmin: converged after 3 iterations. iteration 266: trace = 2.452064618822507 (0.00029469% change) linmin: converged after 3 iterations. iteration 267: trace = 2.452059658986645 (0.000202272% change) linmin: converged after 3 iterations. iteration 268: trace = 2.452055804169355 (0.000157207% change) large trace change predicted (0.000351424%) linmin: converged after 3 iterations. iteration 269: trace = 2.452047178592722 (0.00035177% change) linmin: converged after 5 iterations. iteration 270: trace = 2.452041173322275 (0.000244909% change) linmin: converged after 3 iterations. iteration 271: trace = 2.452039563329174 (6.56593e-05% change) large trace change predicted (0.00018944%) linmin: converged after 3 iterations. iteration 272: trace = 2.452034915919206 (0.000189533% change) linmin: converged after 4 iterations. iteration 273: trace = 2.452031296294751 (0.000147617% change) linmin: converged after 3 iterations. iteration 274: trace = 2.452030405124695 (3.63442e-05% change) large trace change predicted (0.000129632%) linmin: converged after 3 iterations. iteration 275: trace = 2.4520272253081 (0.000129681% change) linmin: converged after 3 iterations. iteration 276: trace = 2.452026459038301 (3.12505e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.452025065045699 (5.68507e-05% change) large trace change predicted (0.000118026%) linmin: converged after 3 iterations. iteration 278: trace = 2.452022170696611 (0.000118039% change) linmin: converged after 17 iterations. iteration 279: trace = 2.452017860046731 (0.0001758% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.45201404140539 (0.000155735% change) linmin: converged after 4 iterations. iteration 281: trace = 2.452011529806787 (0.00010243% change) linmin: converged after 3 iterations. iteration 282: trace = 2.452010311600652 (4.96819e-05% change) linmin: converged after 3 iterations. iteration 283: trace = 2.452009516663321 (3.24198e-05% change) large trace change predicted (0.000102065%) linmin: converged after 3 iterations. iteration 284: trace = 2.452007014582013 (0.000102042% change) linmin: converged after 3 iterations. iteration 285: trace = 2.452006111304329 (3.68383e-05% change) large trace change predicted (8.5856e-05%) linmin: converged after 4 iterations. iteration 286: trace = 2.452004007868239 (8.57843e-05% change) linmin: converged after 6 iterations. iteration 287: trace = 2.452000169471956 (0.000156541% change) linmin: converged after 5 iterations. iteration 288: trace = 2.4519986688801 (6.11987e-05% change) large trace change predicted (0.000158115%) linmin: converged after 14 iterations. iteration 289: trace = 2.451994794695603 (0.000158001% change) linmin: converged after 4 iterations. iteration 290: trace = 2.45198950403313 (0.00021577% change) linmin: converged after 4 iterations. iteration 291: trace = 2.45198728318842 (9.05732e-05% change) linmin: converged after 4 iterations. iteration 292: trace = 2.451983577063052 (0.000151148% change) linmin: converged after 6 iterations. iteration 293: trace = 2.451978464999792 (0.000208487% change) linmin: converged after 4 iterations. iteration 294: trace = 2.451977543277786 (3.7591e-05% change) large trace change predicted (0.000152746%) linmin: converged after 5 iterations. iteration 295: trace = 2.451973800525711 (0.000152642% change) linmin: converged after 4 iterations. iteration 296: trace = 2.451971782494539 (8.23023e-05% change) linmin: converged after 8 iterations. iteration 297: trace = 2.451970960779481 (3.35124e-05% change) linmin: converged after 4 iterations. iteration 298: trace = 2.451969727796564 (5.02854e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.451968356222411 (5.59377e-05% change) linmin: converged after 3 iterations. iteration 300: trace = 2.451967926208919 (1.75375e-05% change) large trace change predicted (3.75352e-05%) linmin: converged after 4 iterations. iteration 301: trace = 2.451967005897255 (3.75336e-05% change) linmin: converged after 3 iterations. iteration 302: trace = 2.45196585886014 (4.67803e-05% change) linmin: converged after 5 iterations. iteration 303: trace = 2.451965540583176 (1.29805e-05% change) large trace change predicted (7.15409e-05%) linmin: converged after 3 iterations. iteration 304: trace = 2.451963785884637 (7.1563e-05% change) linmin: converged after 3 iterations. iteration 305: trace = 2.451963045030316 (3.02147e-05% change) linmin: converged after 3 iterations. iteration 306: trace = 2.451961933346478 (4.53385e-05% change) large trace change predicted (0.000104541%) linmin: converged after 3 iterations. iteration 307: trace = 2.451959369208272 (0.000104575% change) linmin: converged after 4 iterations. iteration 308: trace = 2.451955313437995 (0.000165409% change) linmin: converged after 3 iterations. iteration 309: trace = 2.451954173890741 (4.64751e-05% change) large trace change predicted (0.000168614%) linmin: converged after 3 iterations. iteration 310: trace = 2.451950038220326 (0.000168668% change) linmin: converged after 4 iterations. iteration 311: trace = 2.45194720424246 (0.000115581% change) linmin: converged after 3 iterations. iteration 312: trace = 2.451945277810029 (7.85675e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.45194227649443 (0.000122406% change) linmin: converged after 4 iterations. iteration 314: trace = 2.451940838855961 (5.86327e-05% change) linmin: converged after 3 iterations. iteration 315: trace = 2.451939519047849 (5.38271e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.451937885123866 (6.6638e-05% change) linmin: converged after 3 iterations. iteration 317: trace = 2.451937057121244 (3.37693e-05% change) linmin: converged after 3 iterations. iteration 318: trace = 2.451935845736279 (4.94052e-05% change) linmin: converged after 4 iterations. iteration 319: trace = 2.45193419236959 (6.74311e-05% change) linmin: converged after 2 iterations. iteration 320: trace = 2.451933880686356 (1.27117e-05% change) large trace change predicted (3.63316e-05%) linmin: converged after 4 iterations. iteration 321: trace = 2.451932990103067 (3.63217e-05% change) linmin: converged after 3 iterations. iteration 322: trace = 2.451932159009253 (3.38955e-05% change) linmin: converged after 3 iterations. iteration 323: trace = 2.451931323267183 (3.4085e-05% change) linmin: converged after 4 iterations. iteration 324: trace = 2.451931020939695 (1.23302e-05% change) large trace change predicted (3.62538e-05%) linmin: converged after 3 iterations. iteration 325: trace = 2.451930132379351 (3.62392e-05% change) linmin: converged after 3 iterations. iteration 326: trace = 2.451929017699269 (4.54613e-05% change) linmin: converged after 4 iterations. iteration 327: trace = 2.45192848410292 (2.17623e-05% change) large trace change predicted (0.000104628%) linmin: converged after 4 iterations. iteration 328: trace = 2.451925920114671 (0.00010457% change) linmin: converged after 5 iterations. iteration 329: trace = 2.451924970519951 (3.87285e-05% change) linmin: converged after 3 iterations. iteration 330: trace = 2.451923557572012 (5.76261e-05% change) large trace change predicted (0.000120972%) linmin: converged after 4 iterations. iteration 331: trace = 2.451920594011056 (0.000120867% change) linmin: converged after 3 iterations. iteration 332: trace = 2.45192004204696 (2.25115e-05% change) large trace change predicted (9.43881e-05%) linmin: converged after 4 iterations. iteration 333: trace = 2.45191772844623 (9.43588e-05% change) linmin: converged after 5 iterations. iteration 334: trace = 2.451916033760815 (6.91168e-05% change) linmin: converged after 3 iterations. iteration 335: trace = 2.451915399599557 (2.58639e-05% change) linmin: converged after 4 iterations. iteration 336: trace = 2.451914326121842 (4.37812e-05% change) linmin: converged after 4 iterations. iteration 337: trace = 2.451913239942186 (4.42993e-05% change) linmin: converged after 3 iterations. iteration 338: trace = 2.451912993414436 (1.00545e-05% change) large trace change predicted (4.1471e-05%) linmin: converged after 5 iterations. iteration 339: trace = 2.451911976587144 (4.14708e-05% change) linmin: converged after 4 iterations. iteration 340: trace = 2.451911369334397 (2.47665e-05% change) linmin: converged after 2 iterations. iteration 341: trace = 2.451911120975537 (1.01292e-05% change) large trace change predicted (2.87725e-05%) linmin: converged after 3 iterations. iteration 342: trace = 2.451910415489351 (2.87729e-05% change) linmin: converged after 3 iterations. iteration 343: trace = 2.451909825959799 (2.40437e-05% change) linmin: converged after 3 iterations. iteration 344: trace = 2.451909541654708 (1.15953e-05% change) large trace change predicted (2.5079e-05%) linmin: converged after 2 iterations. iteration 345: trace = 2.451908926718934 (2.50799e-05% change) linmin: converged after 3 iterations. iteration 346: trace = 2.451907797719457 (4.60457e-05% change) linmin: converged after 3 iterations. iteration 347: trace = 2.451907290202433 (2.06989e-05% change) large trace change predicted (8.07386e-05%) linmin: converged after 3 iterations. iteration 348: trace = 2.451905309968196 (8.0763e-05% change) linmin: converged after 3 iterations. iteration 349: trace = 2.451904391113246 (3.74751e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.451903535916718 (3.48789e-05% change) large trace change predicted (7.27592e-05%) linmin: converged after 2 iterations. iteration 351: trace = 2.451901751892182 (7.27608e-05% change) linmin: converged after 4 iterations. iteration 352: trace = 2.451901276754552 (1.93783e-05% change) large trace change predicted (4.08506e-05%) linmin: converged after 4 iterations. iteration 353: trace = 2.451900275010416 (4.08558e-05% change) linmin: converged after 3 iterations. iteration 354: trace = 2.451899713193304 (2.29135e-05% change) linmin: converged after 3 iterations. iteration 355: trace = 2.451899436287318 (1.12935e-05% change) linmin: converged after 3 iterations. iteration 356: trace = 2.451898959576422 (1.94425e-05% change) linmin: converged after 2 iterations. iteration 357: trace = 2.451898379151764 (2.36725e-05% change) linmin: converged after 4 iterations. iteration 358: trace = 2.451898144559545 (9.56778e-06% change) linmin: converged after 3 iterations. iteration 359: trace = 2.4518976855856 (1.87191e-05% change) linmin: converged after 4 iterations. iteration 360: trace = 2.451896840407294 (3.44704e-05% change) linmin: converged after 3 iterations. iteration 361: trace = 2.451896620731481 (8.95942e-06% change) large trace change predicted (3.19484e-05%) linmin: converged after 5 iterations. iteration 362: trace = 2.45189583731627 (3.19514e-05% change) linmin: converged after 4 iterations. iteration 363: trace = 2.451894956319653 (3.59312e-05% change) linmin: converged after 21 iterations. iteration 364: trace = 2.451894503027008 (1.84874e-05% change) large trace change predicted (4.8257e-05%) linmin: converged after 4 iterations. iteration 365: trace = 2.451893319303442 (4.82779e-05% change) linmin: converged after 3 iterations. iteration 366: trace = 2.451891624571546 (6.91193e-05% change) linmin: converged after 3 iterations. iteration 367: trace = 2.451891263056273 (1.47443e-05% change) large trace change predicted (7.59066e-05%) linmin: converged after 4 iterations. iteration 368: trace = 2.451889400514 (7.59635e-05% change) linmin: converged after 4 iterations. iteration 369: trace = 2.451888033772895 (5.57424e-05% change) linmin: converged after 3 iterations. iteration 370: trace = 2.451887500187064 (2.17622e-05% change) large trace change predicted (6.32711e-05%) linmin: converged after 3 iterations. iteration 371: trace = 2.451885948147466 (6.32998e-05% change) linmin: converged after 4 iterations. iteration 372: trace = 2.451885225754261 (2.94628e-05% change) linmin: converged after 4 iterations. iteration 373: trace = 2.451884958261052 (1.09097e-05% change) large trace change predicted (3.42084e-05%) linmin: converged after 5 iterations. iteration 374: trace = 2.45188411936124 (3.42145e-05% change) linmin: converged after 3 iterations. iteration 375: trace = 2.4518834455258 (2.74824e-05% change) linmin: converged after 4 iterations. iteration 376: trace = 2.451883288314648 (6.41185e-06% change) large trace change predicted (2.16763e-05%) linmin: converged after 3 iterations. iteration 377: trace = 2.451882756893763 (2.1674e-05% change) linmin: converged after 5 iterations. iteration 378: trace = 2.451882180965359 (2.34892e-05% change) linmin: converged after 3 iterations. iteration 379: trace = 2.451881990598108 (7.76413e-06% change) large trace change predicted (3.80964e-05%) linmin: converged after 13 iterations. iteration 380: trace = 2.451881056586998 (3.80936e-05% change) linmin: converged after 3 iterations. iteration 381: trace = 2.45188039326637 (2.70535e-05% change) linmin: converged after 3 iterations. iteration 382: trace = 2.451880055395958 (1.37801e-05% change) large trace change predicted (3.87877e-05%) linmin: converged after 3 iterations. iteration 383: trace = 2.451879104875054 (3.8767e-05% change) linmin: converged after 5 iterations. iteration 384: trace = 2.451877872385962 (5.02671e-05% change) linmin: converged after 4 iterations. iteration 385: trace = 2.451877409363206 (1.88844e-05% change) large trace change predicted (6.61803e-05%) linmin: converged after 3 iterations. iteration 386: trace = 2.451875786831722 (6.61751e-05% change) linmin: converged after 3 iterations. iteration 387: trace = 2.451874114994703 (6.81861e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.451873367435144 (3.04893e-05% change) large trace change predicted (8.26889e-05%) linmin: converged after 4 iterations. iteration 389: trace = 2.451871340582626 (8.26655e-05% change) linmin: converged after 12 iterations. iteration 390: trace = 2.451869415291305 (7.85234e-05% change) linmin: converged after 6 iterations. iteration 391: trace = 2.451868846240604 (2.32089e-05% change) linmin: converged after 6 iterations. iteration 392: trace = 2.451867755718613 (4.44772e-05% change) linmin: converged after 3 iterations. iteration 393: trace = 2.451867297122724 (1.87039e-05% change) linmin: converged after 5 iterations. iteration 394: trace = 2.451866889343695 (1.66314e-05% change) linmin: converged after 4 iterations. iteration 395: trace = 2.451866218412294 (2.73641e-05% change) linmin: converged after 3 iterations. iteration 396: trace = 2.451865973090252 (1.00055e-05% change) linmin: converged after 3 iterations. iteration 397: trace = 2.451865750542539 (9.07667e-06% change) large trace change predicted (2.41634e-05%) linmin: converged after 3 iterations. iteration 398: trace = 2.451865158093582 (2.41632e-05% change) linmin: converged after 3 iterations. iteration 399: trace = 2.451864655747779 (2.04883e-05% change) linmin: converged after 3 iterations. iteration 400: trace = 2.451864293007266 (1.47945e-05% change) linmin: converged after 2 iterations. iteration 401: trace = 2.45186360898456 (2.78981e-05% change) linmin: converged after 3 iterations. iteration 402: trace = 2.45186293072512 (2.7663e-05% change) linmin: converged after 4 iterations. iteration 403: trace = 2.451862533799797 (1.61887e-05% change) large trace change predicted (6.72894e-05%) linmin: converged after 4 iterations. iteration 404: trace = 2.451860882887168 (6.7333e-05% change) linmin: converged after 4 iterations. iteration 405: trace = 2.451860033459531 (3.46442e-05% change) linmin: converged after 3 iterations. iteration 406: trace = 2.451858623714769 (5.7497e-05% change) linmin: converged after 8 iterations. iteration 407: trace = 2.451856829692332 (7.31699e-05% change) linmin: converged after 4 iterations. iteration 408: trace = 2.45185614623346 (2.78752e-05% change) large trace change predicted (6.1068e-05%) linmin: converged after 5 iterations. iteration 409: trace = 2.45185464758782 (6.11229e-05% change) linmin: converged after 3 iterations. iteration 410: trace = 2.451853440133092 (4.92466e-05% change) linmin: converged after 4 iterations. iteration 411: trace = 2.451853051741367 (1.58407e-05% change) large trace change predicted (3.47325e-05%) linmin: converged after 3 iterations. iteration 412: trace = 2.451852199922401 (3.47419e-05% change) linmin: converged after 5 iterations. iteration 413: trace = 2.451851360775943 (3.4225e-05% change) linmin: converged after 3 iterations. iteration 414: trace = 2.451851086255266 (1.11965e-05% change) linmin: converged after 4 iterations. iteration 415: trace = 2.451850542646638 (2.21714e-05% change) linmin: converged after 3 iterations. iteration 416: trace = 2.451850015328074 (2.1507e-05% change) linmin: converged after 2 iterations. iteration 417: trace = 2.45184980400017 (8.61912e-06% change) large trace change predicted (2.37854e-05%) linmin: converged after 4 iterations. iteration 418: trace = 2.451849220866408 (2.37834e-05% change) large trace change predicted (0.000399663%) linmin: converged after 4 iterations. iteration 419: trace = 2.451839418151633 (0.00039981% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.451836248360724 (0.000129282% change) linmin: converged after 4 iterations. iteration 421: trace = 2.45183371366751 (0.000103379% change) linmin: converged after 3 iterations. iteration 422: trace = 2.451832430347995 (5.23412e-05% change) linmin: converged after 3 iterations. iteration 423: trace = 2.45183192000024 (2.0815e-05% change) linmin: converged after 4 iterations. iteration 424: trace = 2.451831533765208 (1.57529e-05% change) linmin: converged after 4 iterations. iteration 425: trace = 2.451831165796195 (1.50079e-05% change) linmin: converged after 4 iterations. iteration 426: trace = 2.451830993767001 (7.01636e-06% change) large trace change predicted (1.47725e-05%) linmin: converged after 4 iterations. iteration 427: trace = 2.451830631631166 (1.477e-05% change) linmin: converged after 13 iterations. iteration 428: trace = 2.451830392616881 (9.7484e-06% change) linmin: converged after 12 iterations. iteration 429: trace = 2.451829995270733 (1.62061e-05% change) linmin: converged after 3 iterations. iteration 430: trace = 2.451829510949611 (1.97535e-05% change) linmin: converged after 3 iterations. iteration 431: trace = 2.451829129074782 (1.55751e-05% change) linmin: converged after 3 iterations. iteration 432: trace = 2.451828550587267 (2.35941e-05% change) linmin: converged after 5 iterations. iteration 433: trace = 2.45182755403227 (4.06454e-05% change) linmin: converged after 4 iterations. iteration 434: trace = 2.451827207394096 (1.4138e-05% change) linmin: converged after 4 iterations. iteration 435: trace = 2.4518267812447 (1.73809e-05% change) linmin: converged after 3 iterations. iteration 436: trace = 2.451825985755169 (3.24448e-05% change) linmin: converged after 5 iterations. iteration 437: trace = 2.451825766747407 (8.93244e-06% change) large trace change predicted (2.46607e-05%) linmin: converged after 3 iterations. iteration 438: trace = 2.451825162420885 (2.4648e-05% change) linmin: converged after 4 iterations. iteration 439: trace = 2.451824575562062 (2.39356e-05% change) linmin: converged after 8 iterations. iteration 440: trace = 2.451824190928934 (1.56876e-05% change) linmin: converged after 3 iterations. iteration 441: trace = 2.451823756044236 (1.77372e-05% change) linmin: converged after 3 iterations. iteration 442: trace = 2.451823300198005 (1.85921e-05% change) linmin: converged after 5 iterations. iteration 443: trace = 2.451823179398864 (4.92691e-06% change) large trace change predicted (1.10827e-05%) linmin: converged after 4 iterations. iteration 444: trace = 2.451822907654214 (1.10834e-05% change) linmin: converged after 4 iterations. iteration 445: trace = 2.451822696733543 (8.60261e-06% change) linmin: converged after 2 iterations. iteration 446: trace = 2.451822616107164 (3.28843e-06% change) large trace change predicted (9.5146e-06%) linmin: converged after 3 iterations. iteration 447: trace = 2.451822382811159 (9.51521e-06% change) linmin: converged after 3 iterations. iteration 448: trace = 2.451822220487413 (6.62053e-06% change) linmin: converged after 2 iterations. iteration 449: trace = 2.451822142414926 (3.18426e-06% change) large trace change predicted (1.35976e-05%) linmin: converged after 4 iterations. iteration 450: trace = 2.451821808981964 (1.35994e-05% change) linmin: converged after 3 iterations. iteration 451: trace = 2.451821294447716 (2.09858e-05% change) linmin: converged after 3 iterations. iteration 452: trace = 2.451821107019291 (7.64446e-06% change) large trace change predicted (3.35258e-05%) linmin: converged after 4 iterations. iteration 453: trace = 2.451820284347986 (3.35535e-05% change) linmin: converged after 3 iterations. iteration 454: trace = 2.45181982365295 (1.87899e-05% change) linmin: converged after 3 iterations. iteration 455: trace = 2.451819655032934 (6.87734e-06% change) large trace change predicted (2.03585e-05%) linmin: converged after 3 iterations. iteration 456: trace = 2.451819155701544 (2.03657e-05% change) linmin: converged after 3 iterations. iteration 457: trace = 2.451818564739353 (2.4103e-05% change) linmin: converged after 4 iterations. iteration 458: trace = 2.451818277187946 (1.17281e-05% change) linmin: converged after 3 iterations. iteration 459: trace = 2.45181776796764 (2.07691e-05% change) linmin: converged after 4 iterations. iteration 460: trace = 2.451817484826151 (1.15482e-05% change) linmin: converged after 3 iterations. iteration 461: trace = 2.451817309321384 (7.15815e-06% change) linmin: converged after 4 iterations. iteration 462: trace = 2.451817076787368 (9.48415e-06% change) linmin: converged after 4 iterations. iteration 463: trace = 2.451816969558908 (4.37343e-06% change) linmin: converged after 3 iterations. iteration 464: trace = 2.451816894009379 (3.08137e-06% change) large trace change predicted (7.7954e-06%) linmin: converged after 6 iterations. iteration 465: trace = 2.451816702885232 (7.79521e-06% change) linmin: converged after 9 iterations. iteration 466: trace = 2.451816599171996 (4.23006e-06% change) linmin: converged after 2 iterations. iteration 467: trace = 2.451816489404644 (4.47698e-06% change) linmin: converged after 3 iterations. iteration 468: trace = 2.451816329515883 (6.52124e-06% change) linmin: converged after 4 iterations. iteration 469: trace = 2.451816181481094 (6.03776e-06% change) linmin: converged after 4 iterations. iteration 470: trace = 2.451815902437252 (1.13811e-05% change) large trace change predicted (2.44314e-05%) linmin: converged after 3 iterations. iteration 471: trace = 2.451815303551776 (2.44262e-05% change) linmin: converged after 3 iterations. iteration 472: trace = 2.451814943468815 (1.46864e-05% change) linmin: converged after 3 iterations. iteration 473: trace = 2.451814672377046 (1.10568e-05% change) linmin: converged after 3 iterations. iteration 474: trace = 2.451814185546885 (1.98559e-05% change) linmin: converged after 3 iterations. iteration 475: trace = 2.451814033219062 (6.21286e-06% change) linmin: converged after 4 iterations. iteration 476: trace = 2.45181374897472 (1.15932e-05% change) linmin: converged after 3 iterations. iteration 477: trace = 2.451813453400551 (1.20553e-05% change) linmin: converged after 3 iterations. iteration 478: trace = 2.451813289080392 (6.70198e-06% change) linmin: converged after 2 iterations. iteration 479: trace = 2.451813207724449 (3.31819e-06% change) large trace change predicted (8.96796e-06%) linmin: converged after 3 iterations. iteration 480: trace = 2.451812987852854 (8.96771e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.451812945545735 (1.72554e-06% change) large trace change predicted (6.37679e-06%) linmin: converged after 24 iterations. iteration 482: trace = 2.451812789199723 (6.37675e-06% change) linmin: converged after 2 iterations. iteration 483: trace = 2.451812697019645 (3.75967e-06% change) linmin: converged after 3 iterations. iteration 484: trace = 2.451812597998675 (4.03868e-06% change) linmin: converged after 4 iterations. iteration 485: trace = 2.451812548964631 (1.99991e-06% change) large trace change predicted (6.15882e-06%) linmin: converged after 3 iterations. iteration 486: trace = 2.451812397955196 (6.15909e-06% change) linmin: converged after 2 iterations. iteration 487: trace = 2.451812294192628 (4.23208e-06% change) linmin: converged after 4 iterations. iteration 488: trace = 2.451812210144265 (3.42801e-06% change) large trace change predicted (9.33466e-06%) linmin: converged after 2 iterations. iteration 489: trace = 2.451811981262847 (9.33519e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.45181192408386 (2.33211e-06% change) large trace change predicted (5.58521e-06%) linmin: converged after 2 iterations. iteration 491: trace = 2.45181178714422 (5.58524e-06% change) linmin: converged after 3 iterations. iteration 492: trace = 2.451811688417301 (4.02669e-06% change) linmin: converged after 4 iterations. iteration 493: trace = 2.451811632945569 (2.26248e-06% change) large trace change predicted (6.44853e-06%) linmin: converged after 3 iterations. iteration 494: trace = 2.451811474854317 (6.44794e-06% change) linmin: converged after 5 iterations. iteration 495: trace = 2.451811383168939 (3.7395e-06% change) linmin: converged after 15 iterations. iteration 496: trace = 2.451811324057781 (2.41092e-06% change) linmin: converged after 3 iterations. iteration 497: trace = 2.451811230618308 (3.81104e-06% change) linmin: converged after 2 iterations. iteration 498: trace = 2.451811110475865 (4.90015e-06% change) linmin: converged after 6 iterations. iteration 499: trace = 2.451811068685982 (1.70445e-06% change) large trace change predicted (5.5875e-06%) linmin: converged after 4 iterations. iteration 500: trace = 2.451810931681383 (5.58789e-06% change) linmin: converged after 4 iterations. iteration 501: trace = 2.451810793584558 (5.63244e-06% change) linmin: converged after 2 iterations. iteration 502: trace = 2.451810734692598 (2.40198e-06% change) large trace change predicted (9.28209e-06%) linmin: converged after 3 iterations. iteration 503: trace = 2.451810507098323 (9.2827e-06% change) linmin: converged after 3 iterations. iteration 504: trace = 2.451810296449718 (8.59155e-06% change) linmin: converged after 2 iterations. iteration 505: trace = 2.451810186135639 (4.49929e-06% change) large trace change predicted (1.46676e-05%) linmin: converged after 3 iterations. iteration 506: trace = 2.451809826465612 (1.46696e-05% change) linmin: converged after 4 iterations. iteration 507: trace = 2.451809619277121 (8.45043e-06% change) linmin: converged after 3 iterations. iteration 508: trace = 2.451809501082995 (4.82069e-06% change) large trace change predicted (1.92431e-05%) linmin: converged after 3 iterations. iteration 509: trace = 2.451809029215262 (1.92457e-05% change) linmin: converged after 5 iterations. iteration 510: trace = 2.451808734391046 (1.20248e-05% change) linmin: converged after 3 iterations. iteration 511: trace = 2.451808651757375 (3.37031e-06% change) linmin: converged after 3 iterations. iteration 512: trace = 2.45180849917033 (6.22345e-06% change) linmin: converged after 3 iterations. iteration 513: trace = 2.451808393312671 (4.31753e-06% change) linmin: converged after 5 iterations. iteration 514: trace = 2.451808315392879 (3.17805e-06% change) linmin: converged after 4 iterations. iteration 515: trace = 2.451808220825852 (3.85703e-06% change) linmin: converged after 2 iterations. iteration 516: trace = 2.451808117289439 (4.22286e-06% change) linmin: converged after 2 iterations. iteration 517: trace = 2.451808070016485 (1.92809e-06% change) large trace change predicted (6.54089e-06%) linmin: converged after 3 iterations. iteration 518: trace = 2.451807909648998 (6.54078e-06% change) linmin: converged after 2 iterations. iteration 519: trace = 2.451807827857149 (3.33598e-06% change) linmin: converged after 3 iterations. iteration 520: trace = 2.451807687317583 (5.73208e-06% change) linmin: converged after 4 iterations. iteration 521: trace = 2.45180752898879 (6.45764e-06% change) linmin: converged after 4 iterations. iteration 522: trace = 2.451807400606201 (5.23624e-06% change) linmin: converged after 4 iterations. iteration 523: trace = 2.451807242788683 (6.43678e-06% change) linmin: converged after 16 iterations. iteration 524: trace = 2.45180699550649 (1.00857e-05% change) linmin: converged after 3 iterations. iteration 525: trace = 2.451806779102464 (8.82631e-06% change) linmin: converged after 5 iterations. iteration 526: trace = 2.451806628004104 (6.16274e-06% change) large trace change predicted (2.05234e-05%) linmin: converged after 5 iterations. iteration 527: trace = 2.451806125191372 (2.05078e-05% change) linmin: converged after 3 iterations. iteration 528: trace = 2.451805699977323 (1.73429e-05% change) linmin: converged after 6 iterations. iteration 529: trace = 2.451805581690527 (4.82448e-06% change) linmin: converged after 4 iterations. iteration 530: trace = 2.451805356251092 (9.19483e-06% change) linmin: converged after 4 iterations. iteration 531: trace = 2.451805176642239 (7.32558e-06% change) linmin: converged after 5 iterations. iteration 532: trace = 2.451805145367607 (1.27558e-06% change) large trace change predicted (6.45838e-06%) linmin: converged after 4 iterations. iteration 533: trace = 2.451804987029605 (6.45802e-06% change) linmin: converged after 3 iterations. iteration 534: trace = 2.45180491206288 (3.05761e-06% change) linmin: converged after 3 iterations. iteration 535: trace = 2.451804866313732 (1.86594e-06% change) large trace change predicted (4.08076e-06%) linmin: converged after 3 iterations. iteration 536: trace = 2.451804766262397 (4.08072e-06% change) linmin: converged after 2 iterations. iteration 537: trace = 2.451804657069999 (4.45355e-06% change) linmin: converged after 3 iterations. iteration 538: trace = 2.451804606377483 (2.06756e-06% change) large trace change predicted (4.1445e-06%) linmin: converged after 3 iterations. iteration 539: trace = 2.451804504768542 (4.14425e-06% change) large trace change predicted (9.8201e-06%) linmin: converged after 3 iterations. iteration 540: trace = 2.451804263950313 (9.82208e-06% change) linmin: converged after 4 iterations. iteration 541: trace = 2.45180418050125 (3.40358e-06% change) large trace change predicted (1.37408e-05%) linmin: converged after 3 iterations. iteration 542: trace = 2.451803843401765 (1.3749e-05% change) linmin: converged after 4 iterations. iteration 543: trace = 2.451803696700499 (5.9834e-06% change) linmin: converged after 4 iterations. iteration 544: trace = 2.451803442550328 (1.03658e-05% change) linmin: converged after 3 iterations. iteration 545: trace = 2.451803125715919 (1.29225e-05% change) linmin: converged after 3 iterations. iteration 546: trace = 2.451803008291545 (4.78931e-06% change) linmin: converged after 4 iterations. iteration 547: trace = 2.45180277537982 (9.49961e-06% change) linmin: converged after 3 iterations. iteration 548: trace = 2.45180242301641 (1.43716e-05% change) linmin: converged after 4 iterations. iteration 549: trace = 2.451802286929073 (5.5505e-06% change) linmin: converged after 3 iterations. iteration 550: trace = 2.451802189409023 (3.97748e-06% change) linmin: converged after 4 iterations. iteration 551: trace = 2.451802042076553 (6.00915e-06% change) linmin: converged after 3 iterations. iteration 552: trace = 2.451801989156635 (2.15841e-06% change) linmin: converged after 4 iterations. iteration 553: trace = 2.451801889375298 (4.06971e-06% change) linmin: converged after 2 iterations. iteration 554: trace = 2.451801788800758 (4.10207e-06% change) linmin: converged after 4 iterations. iteration 555: trace = 2.451801719908034 (2.80988e-06% change) linmin: converged after 20 iterations. iteration 556: trace = 2.451801635601457 (3.43856e-06% change) large trace change predicted (1.33276e-05%) linmin: converged after 5 iterations. iteration 557: trace = 2.451801308810682 (1.33286e-05% change) linmin: converged after 2 iterations. iteration 558: trace = 2.451801224662919 (3.43208e-06% change) large trace change predicted (4.05656e-05%) linmin: converged after 4 iterations. iteration 559: trace = 2.451800230050095 (4.05666e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 560: trace = 2.451799823974897 (1.65623e-05% change) linmin: converged after 3 iterations. iteration 561: trace = 2.451799715029984 (4.44347e-06% change) large trace change predicted (1.07309e-05%) linmin: converged after 4 iterations. iteration 562: trace = 2.451799451944572 (1.07303e-05% change) linmin: converged after 4 iterations. iteration 563: trace = 2.45179934745655 (4.26169e-06% change) linmin: converged after 3 iterations. iteration 564: trace = 2.451799244936003 (4.18144e-06% change) linmin: converged after 5 iterations. iteration 565: trace = 2.451799085183602 (6.51572e-06% change) linmin: converged after 21 iterations. iteration 566: trace = 2.451798979344068 (4.31681e-06% change) linmin: converged after 3 iterations. iteration 567: trace = 2.451798884620453 (3.86343e-06% change) linmin: converged after 3 iterations. iteration 568: trace = 2.451798713211207 (6.99116e-06% change) linmin: converged after 3 iterations. iteration 569: trace = 2.451798657121068 (2.28771e-06% change) linmin: converged after 3 iterations. iteration 570: trace = 2.451798597387557 (2.43631e-06% change) linmin: converged after 3 iterations. iteration 571: trace = 2.451798522594804 (3.05053e-06% change) linmin: converged after 22 iterations. iteration 572: trace = 2.451798474243136 (1.97209e-06% change) linmin: converged after 2 iterations. iteration 573: trace = 2.451798417316976 (2.32181e-06% change) linmin: converged after 3 iterations. iteration 574: trace = 2.451798308472348 (4.43938e-06% change) linmin: converged after 4 iterations. iteration 575: trace = 2.451798247842999 (2.47285e-06% change) large trace change predicted (6.80466e-06%) linmin: converged after 4 iterations. iteration 576: trace = 2.451798081059537 (6.8025e-06% change) large trace change predicted (1.43482e-05%) linmin: converged after 4 iterations. iteration 577: trace = 2.451797729457693 (1.43406e-05% change) linmin: converged after 3 iterations. iteration 578: trace = 2.451797664470403 (2.6506e-06% change) large trace change predicted (7.56495e-06%) linmin: converged after 3 iterations. iteration 579: trace = 2.451797479015536 (7.56404e-06% change) linmin: converged after 5 iterations. iteration 580: trace = 2.451797330471345 (6.05858e-06% change) linmin: converged after 3 iterations. iteration 581: trace = 2.451797301301993 (1.18971e-06% change) large trace change predicted (4.52277e-06%) linmin: converged after 3 iterations. iteration 582: trace = 2.451797190415884 (4.52265e-06% change) linmin: converged after 5 iterations. iteration 583: trace = 2.451797143789914 (1.90171e-06% change) linmin: converged after 25 iterations. iteration 584: trace = 2.451797115807143 (1.14132e-06% change) linmin: converged after 3 iterations. iteration 585: trace = 2.451797076895471 (1.58707e-06% change) linmin: converged after 22 iterations. iteration 586: trace = 2.451797027842152 (2.00071e-06% change) linmin: converged after 4 iterations. iteration 587: trace = 2.451797014650588 (5.38037e-07% change) large trace change predicted (2.17311e-06%) linmin: converged after 3 iterations. iteration 588: trace = 2.451796961365088 (2.17332e-06% change) linmin: converged after 4 iterations. iteration 589: trace = 2.451796895024673 (2.70579e-06% change) linmin: converged after 23 iterations. iteration 590: trace = 2.451796869658949 (1.03458e-06% change) large trace change predicted (4.62764e-06%) linmin: converged after 3 iterations. iteration 591: trace = 2.451796756178566 (4.62846e-06% change) linmin: converged after 4 iterations. iteration 592: trace = 2.451796655213773 (4.11799e-06% change) linmin: converged after 25 iterations. iteration 593: trace = 2.451796602684955 (2.14246e-06% change) large trace change predicted (6.78639e-06%) linmin: converged after 4 iterations. iteration 594: trace = 2.451796436259071 (6.78792e-06% change) linmin: converged after 3 iterations. iteration 595: trace = 2.451796367820373 (2.79137e-06% change) linmin: converged after 3 iterations. iteration 596: trace = 2.451796297548017 (2.86616e-06% change) large trace change predicted (7.34147e-06%) linmin: converged after 5 iterations. iteration 597: trace = 2.451796117507361 (7.34321e-06% change) linmin: converged after 3 iterations. iteration 598: trace = 2.451795994161684 (5.03083e-06% change) linmin: converged after 4 iterations. iteration 599: trace = 2.451795951579117 (1.73679e-06% change) linmin: converged after 5 iterations. iteration 600: trace = 2.451795868055598 (3.40663e-06% change) linmin: converged after 4 iterations. iteration 601: trace = 2.451795817242072 (2.0725e-06% change) linmin: converged after 3 iterations. iteration 602: trace = 2.451795793834761 (9.54701e-07% change) linmin: converged after 3 iterations. iteration 603: trace = 2.451795765055756 (1.17379e-06% change) linmin: converged after 3 iterations. iteration 604: trace = 2.451795740914986 (9.84616e-07% change) linmin: converged after 23 iterations. iteration 605: trace = 2.451795725447098 (6.3088e-07% change) large trace change predicted (2.36928e-06%) linmin: converged after 5 iterations. iteration 606: trace = 2.451795667358282 (2.36924e-06% change) linmin: converged after 2 iterations. iteration 607: trace = 2.451795646241107 (8.61294e-07% change) large trace change predicted (2.93087e-06%) linmin: converged after 3 iterations. iteration 608: trace = 2.451795574383905 (2.9308e-06% change) linmin: converged after 2 iterations. iteration 609: trace = 2.451795516112861 (2.37667e-06% change) linmin: converged after 6 iterations. iteration 610: trace = 2.45179548888879 (1.11037e-06% change) large trace change predicted (2.68356e-06%) linmin: converged after 3 iterations. iteration 611: trace = 2.451795423095958 (2.68346e-06% change) linmin: converged after 3 iterations. iteration 612: trace = 2.451795348481528 (3.04326e-06% change) linmin: converged after 13 iterations. iteration 613: trace = 2.451795303643771 (1.82877e-06% change) linmin: converged after 16 iterations. iteration 614: trace = 2.451795245553042 (2.36931e-06% change) linmin: converged after 4 iterations. iteration 615: trace = 2.45179515885103 (3.53627e-06% change) linmin: converged after 18 iterations. iteration 616: trace = 2.4517951244103 (1.40471e-06% change) large trace change predicted (3.62317e-06%) linmin: converged after 8 iterations. iteration 617: trace = 2.451795035590019 (3.62266e-06% change) linmin: converged after 4 iterations. iteration 618: trace = 2.451794964138671 (2.91425e-06% change) linmin: converged after 4 iterations. iteration 619: trace = 2.451794925381253 (1.58078e-06% change) linmin: converged after 18 iterations. iteration 620: trace = 2.451794880829083 (1.81712e-06% change) linmin: converged after 3 iterations. iteration 621: trace = 2.451794832437989 (1.9737e-06% change) linmin: converged after 5 iterations. iteration 622: trace = 2.451794824812641 (3.11011e-07% change) large trace change predicted (1.02372e-06%) linmin: converged after 4 iterations. iteration 623: trace = 2.451794799713503 (1.0237e-06% change) linmin: converged after 2 iterations. iteration 624: trace = 2.45179478200424 (7.22298e-07% change) linmin: converged after 9 iterations. iteration 625: trace = 2.451794771157868 (4.42385e-07% change) large trace change predicted (1.32502e-06%) linmin: converged after 7 iterations. iteration 626: trace = 2.451794738670442 (1.32505e-06% change) linmin: converged after 2 iterations. iteration 627: trace = 2.451794711940866 (1.0902e-06% change) linmin: converged after 7 iterations. iteration 628: trace = 2.451794698230413 (5.59201e-07% change) large trace change predicted (1.32639e-06%) linmin: converged after 5 iterations. iteration 629: trace = 2.451794665709344 (1.32642e-06% change) resetting CG direction... linmin: converged after 6 iterations. iteration 630: trace = 2.451794640014939 (1.04798e-06% change) linmin: converged after 28 iterations. iteration 631: trace = 2.451794629532854 (4.27527e-07% change) large trace change predicted (9.67084e-07%) linmin: converged after 2 iterations. iteration 632: trace = 2.451794605821936 (9.67084e-07% change) linmin: converged after 5 iterations. iteration 633: trace = 2.451794581541336 (9.90319e-07% change) linmin: converged after 3 iterations. iteration 634: trace = 2.451794570429164 (4.53226e-07% change) linmin: converged after 4 iterations. iteration 635: trace = 2.451794550152234 (8.27024e-07% change) linmin: converged after 4 iterations. iteration 636: trace = 2.451794535072964 (6.1503e-07% change) linmin: converged after 5 iterations. iteration 637: trace = 2.451794523122309 (4.87425e-07% change) large trace change predicted (1.69163e-06%) linmin: converged after 3 iterations. iteration 638: trace = 2.451794481644907 (1.69172e-06% change) linmin: converged after 3 iterations. iteration 639: trace = 2.4517944617517 (8.11373e-07% change) linmin: converged after 4 iterations. iteration 640: trace = 2.451794424304122 (1.52735e-06% change) linmin: converged after 2 iterations. iteration 641: trace = 2.451794376163542 (1.96348e-06% change) linmin: converged after 3 iterations. iteration 642: trace = 2.451794340669286 (1.44768e-06% change) linmin: converged after 6 iterations. iteration 643: trace = 2.451794304266596 (1.48474e-06% change) linmin: converged after 5 iterations. iteration 644: trace = 2.451794237880441 (2.70766e-06% change) linmin: converged after 2 iterations. iteration 645: trace = 2.451794209686434 (1.14993e-06% change) large trace change predicted (2.65888e-06%) linmin: converged after 2 iterations. iteration 646: trace = 2.451794144491506 (2.65907e-06% change) linmin: converged after 3 iterations. iteration 647: trace = 2.451794082487706 (2.52892e-06% change) linmin: converged after 2 iterations. iteration 648: trace = 2.451794045946223 (1.4904e-06% change) linmin: converged after 3 iterations. iteration 649: trace = 2.451793984694076 (2.49826e-06% change) linmin: converged after 2 iterations. iteration 650: trace = 2.451793939511099 (1.84285e-06% change) linmin: converged after 2 iterations. iteration 651: trace = 2.45179389417555 (1.84908e-06% change) linmin: converged after 2 iterations. iteration 652: trace = 2.451793873381928 (8.48098e-07% change) large trace change predicted (1.7434e-06%) linmin: converged after 2 iterations. iteration 653: trace = 2.451793830635456 (1.74348e-06% change) linmin: converged after 10 iterations. iteration 654: trace = 2.45179381848263 (4.95671e-07% change) linmin: converged after 4 iterations. iteration 655: trace = 2.45179380558426 (5.26079e-07% change) linmin: converged after 7 iterations. iteration 656: trace = 2.451793781383631 (9.87058e-07% change) linmin: converged after 4 iterations. iteration 657: trace = 2.4517937581468 (9.47748e-07% change) linmin: converged after 3 iterations. iteration 658: trace = 2.451793736824155 (8.69675e-07% change) large trace change predicted (1.8128e-06%) linmin: converged after 4 iterations. iteration 659: trace = 2.451793692381785 (1.81265e-06% change) linmin: converged after 3 iterations. iteration 660: trace = 2.451793647915883 (1.81361e-06% change) linmin: converged after 2 iterations. iteration 661: trace = 2.451793620248763 (1.12844e-06% change) large trace change predicted (3.4982e-06%) linmin: converged after 4 iterations. iteration 662: trace = 2.451793534489641 (3.49781e-06% change) linmin: converged after 3 iterations. iteration 663: trace = 2.451793487068685 (1.93413e-06% change) linmin: converged after 2 iterations. iteration 664: trace = 2.45179345985125 (1.1101e-06% change) large trace change predicted (3.50751e-06%) linmin: converged after 4 iterations. iteration 665: trace = 2.451793373862468 (3.50718e-06% change) linmin: converged after 3 iterations. iteration 666: trace = 2.451793300461228 (2.99378e-06% change) linmin: converged after 3 iterations. iteration 667: trace = 2.451793265070546 (1.44346e-06% change) large trace change predicted (3.46162e-06%) linmin: converged after 4 iterations. iteration 668: trace = 2.451793180208526 (3.46122e-06% change) linmin: converged after 4 iterations. iteration 669: trace = 2.451793150348017 (1.2179e-06% change) linmin: converged after 4 iterations. iteration 670: trace = 2.4517931246951 (1.04629e-06% change) linmin: converged after 4 iterations. iteration 671: trace = 2.45179309557525 (1.1877e-06% change) linmin: converged after 3 iterations. iteration 672: trace = 2.451793077135972 (7.52073e-07% change) linmin: converged after 3 iterations. iteration 673: trace = 2.451793067839563 (3.79168e-07% change) linmin: converged after 5 iterations. iteration 674: trace = 2.451793049710166 (7.39434e-07% change) linmin: converged after 6 iterations. iteration 675: trace = 2.451793035819787 (5.6654e-07% change) linmin: converged after 3 iterations. iteration 676: trace = 2.451793016391449 (7.92413e-07% change) large trace change predicted (1.99392e-06%) linmin: converged after 3 iterations. iteration 677: trace = 2.451792967500841 (1.99408e-06% change) linmin: converged after 7 iterations. iteration 678: trace = 2.451792955394192 (4.93788e-07% change) large trace change predicted (2.90341e-06%) linmin: converged after 4 iterations. iteration 679: trace = 2.451792884197745 (2.90385e-06% change) linmin: converged after 7 iterations. iteration 680: trace = 2.451792831180279 (2.1624e-06% change) linmin: converged after 3 iterations. iteration 681: trace = 2.451792799521752 (1.29124e-06% change) large trace change predicted (2.58955e-06%) linmin: converged after 3 iterations. iteration 682: trace = 2.451792736027512 (2.58971e-06% change) linmin: converged after 3 iterations. iteration 683: trace = 2.451792649945074 (3.511e-06% change) linmin: converged after 2 iterations. iteration 684: trace = 2.451792613844836 (1.4724e-06% change) linmin: converged after 3 iterations. iteration 685: trace = 2.451792579399455 (1.40491e-06% change) linmin: converged after 10 iterations. iteration 686: trace = 2.451792516707143 (2.557e-06% change) linmin: converged after 3 iterations. iteration 687: trace = 2.451792484864669 (1.29874e-06% change) linmin: converged after 22 iterations. iteration 688: trace = 2.4517924524186 (1.32336e-06% change) linmin: converged after 3 iterations. iteration 689: trace = 2.451792417149102 (1.43852e-06% change) linmin: converged after 2 iterations. iteration 690: trace = 2.451792388108204 (1.18448e-06% change) linmin: converged after 3 iterations. iteration 691: trace = 2.451792377882575 (4.17068e-07% change) large trace change predicted (1.14399e-06%) linmin: converged after 3 iterations. iteration 692: trace = 2.451792349833338 (1.14403e-06% change) linmin: converged after 3 iterations. iteration 693: trace = 2.451792339937345 (4.03623e-07% change) large trace change predicted (1.48548e-06%) linmin: converged after 5 iterations. iteration 694: trace = 2.451792303515569 (1.48552e-06% change) linmin: converged after 2 iterations. iteration 695: trace = 2.451792269589999 (1.3837e-06% change) linmin: converged after 3 iterations. iteration 696: trace = 2.451792241449702 (1.14774e-06% change) large trace change predicted (2.47237e-06%) linmin: converged after 4 iterations. iteration 697: trace = 2.451792180828142 (2.47254e-06% change) linmin: converged after 19 iterations. iteration 698: trace = 2.451792064783098 (4.73307e-06% change) linmin: converged after 3 iterations. iteration 699: trace = 2.451791947538849 (4.78198e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 700: trace = 2.45179187649743 (2.89753e-06% change) linmin: converged after 2 iterations. iteration 701: trace = 2.451791814496708 (2.52879e-06% change) linmin: converged after 4 iterations. iteration 702: trace = 2.451791765943682 (1.98031e-06% change) linmin: converged after 29 iterations. iteration 703: trace = 2.451791746073243 (8.10446e-07% change) large trace change predicted (1.95561e-06%) linmin: converged after 18 iterations. iteration 704: trace = 2.451791698126216 (1.95559e-06% change) linmin: converged after 3 iterations. iteration 705: trace = 2.451791664833224 (1.3579e-06% change) linmin: converged after 3 iterations. iteration 706: trace = 2.451791644852811 (8.14931e-07% change) linmin: converged after 3 iterations. iteration 707: trace = 2.451791606051089 (1.58259e-06% change) linmin: converged after 5 iterations. iteration 708: trace = 2.451791596568771 (3.86751e-07% change) large trace change predicted (9.06638e-07%) linmin: converged after 2 iterations. iteration 709: trace = 2.45179157433987 (9.06639e-07% change) linmin: converged after 7 iterations. iteration 710: trace = 2.451791554340796 (8.15692e-07% change) linmin: converged after 3 iterations. iteration 711: trace = 2.451791546076203 (3.37084e-07% change) linmin: converged after 3 iterations. iteration 712: trace = 2.451791530123044 (6.50674e-07% change) linmin: converged after 4 iterations. iteration 713: trace = 2.451791504209668 (1.05692e-06% change) linmin: converged after 4 iterations. iteration 714: trace = 2.451791497082266 (2.90702e-07% change) large trace change predicted (1.28268e-06%) linmin: converged after 3 iterations. iteration 715: trace = 2.451791465634301 (1.28265e-06% change) linmin: converged after 23 iterations. iteration 716: trace = 2.451791426568175 (1.59337e-06% change) linmin: converged after 3 iterations. iteration 717: trace = 2.45179141332541 (5.40126e-07% change) large trace change predicted (2.0903e-06%) linmin: converged after 9 iterations. iteration 718: trace = 2.451791362081272 (2.09007e-06% change) linmin: converged after 7 iterations. iteration 719: trace = 2.451791325091032 (1.5087e-06% change) linmin: converged after 4 iterations. iteration 720: trace = 2.451791304136754 (8.54652e-07% change) linmin: converged after 3 iterations. iteration 721: trace = 2.451791271386816 (1.33576e-06% change) linmin: converged after 3 iterations. iteration 722: trace = 2.4517912356199 (1.45881e-06% change) linmin: converged after 4 iterations. iteration 723: trace = 2.451791230784012 (1.97239e-07% change) large trace change predicted (8.03857e-07%) linmin: converged after 2 iterations. iteration 724: trace = 2.451791211074827 (8.03869e-07% change) linmin: converged after 4 iterations. iteration 725: trace = 2.451791201954212 (3.71998e-07% change) linmin: converged after 25 iterations. iteration 726: trace = 2.451791197465758 (1.83068e-07% change) large trace change predicted (5.88907e-07%) linmin: converged after 11 iterations. iteration 727: trace = 2.451791183026423 (5.8893e-07% change) linmin: converged after 4 iterations. iteration 728: trace = 2.451791171752508 (4.59824e-07% change) linmin: converged after 7 iterations. iteration 729: trace = 2.451791166538381 (2.12666e-07% change) large trace change predicted (4.91577e-07%) linmin: converged after 2 iterations. iteration 730: trace = 2.45179115448523 (4.91606e-07% change) linmin: converged after 3 iterations. iteration 731: trace = 2.451791137388115 (6.97332e-07% change) linmin: converged after 6 iterations. iteration 732: trace = 2.451791131795132 (2.28118e-07% change) large trace change predicted (6.04387e-07%) linmin: converged after 10 iterations. iteration 733: trace = 2.451791116976507 (6.044e-07% change) linmin: converged after 3 iterations. iteration 734: trace = 2.451791087432637 (1.20499e-06% change) linmin: converged after 2 iterations. iteration 735: trace = 2.451791066215737 (8.65363e-07% change) linmin: converged after 3 iterations. iteration 736: trace = 2.45179103723455 (1.18204e-06% change) large trace change predicted (2.40391e-06%) linmin: converged after 3 iterations. iteration 737: trace = 2.451790978280126 (2.40455e-06% change) linmin: converged after 5 iterations. iteration 738: trace = 2.451790967518957 (4.38911e-07% change) large trace change predicted (1.27451e-06%) linmin: converged after 4 iterations. iteration 739: trace = 2.451790936266062 (1.2747e-06% change) linmin: converged after 5 iterations. iteration 740: trace = 2.451790922173472 (5.74788e-07% change) linmin: converged after 3 iterations. iteration 741: trace = 2.451790916062591 (2.49242e-07% change) linmin: converged after 26 iterations. iteration 742: trace = 2.451790905737099 (4.21141e-07% change) linmin: converged after 2 iterations. iteration 743: trace = 2.451790901590956 (1.69107e-07% change) linmin: converged after 2 iterations. iteration 744: trace = 2.45179089570591 (2.4003e-07% change) linmin: converged after 4 iterations. iteration 745: trace = 2.451790886384492 (3.80188e-07% change) linmin: converged after 3 iterations. iteration 746: trace = 2.451790875442863 (4.46271e-07% change) linmin: converged after 3 iterations. iteration 747: trace = 2.451790871429415 (1.63695e-07% change) large trace change predicted (6.68579e-07%) linmin: converged after 15 iterations. iteration 748: trace = 2.451790855037419 (6.68572e-07% change) linmin: converged after 3 iterations. iteration 749: trace = 2.451790850215847 (1.96655e-07% change) linmin: converged after 2 iterations. iteration 750: trace = 2.451790842073405 (3.32102e-07% change) large trace change predicted (7.23285e-07%) linmin: converged after 7 iterations. iteration 751: trace = 2.451790824340513 (7.23263e-07% change) linmin: converged after 3 iterations. iteration 752: trace = 2.451790808800507 (6.33823e-07% change) linmin: converged after 16 iterations. iteration 753: trace = 2.451790799675366 (3.72183e-07% change) large trace change predicted (7.55355e-07%) linmin: converged after 3 iterations. iteration 754: trace = 2.451790781155791 (7.55349e-07% change) linmin: converged after 4 iterations. iteration 755: trace = 2.451790753377429 (1.13298e-06% change) linmin: converged after 2 iterations. iteration 756: trace = 2.451790748171916 (2.12315e-07% change) large trace change predicted (7.71631e-07%) linmin: converged after 3 iterations. iteration 757: trace = 2.451790729254113 (7.71591e-07% change) linmin: converged after 4 iterations. iteration 758: trace = 2.451790712627488 (6.78142e-07% change) linmin: converged after 3 iterations. iteration 759: trace = 2.451790705113992 (3.06449e-07% change) linmin: converged after 10 iterations. iteration 760: trace = 2.451790695492717 (3.92418e-07% change) linmin: converged after 3 iterations. iteration 761: trace = 2.451790684350141 (4.54467e-07% change) linmin: converged after 7 iterations. iteration 762: trace = 2.451790682530711 (7.42082e-08% change) large trace change predicted (2.7828e-07%) linmin: converged after 4 iterations. iteration 763: trace = 2.45179067570795 (2.78277e-07% change) linmin: converged after 3 iterations. iteration 764: trace = 2.451790670994574 (1.92242e-07% change) linmin: converged after 3 iterations. iteration 765: trace = 2.451790668762369 (9.10439e-08% change) large trace change predicted (2.97902e-07%) linmin: converged after 2 iterations. iteration 766: trace = 2.451790661458403 (2.97903e-07% change) linmin: converged after 4 iterations. iteration 767: trace = 2.451790655289479 (2.51609e-07% change) linmin: converged after 2 iterations. iteration 768: trace = 2.451790651070921 (1.7206e-07% change) linmin: converged after 4 iterations. iteration 769: trace = 2.451790646829185 (1.73006e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 770: trace = 2.45179064356178 (1.33266e-07% change) linmin: converged after 10 iterations. iteration 771: trace = 2.4517906410474 (1.02553e-07% change) large trace change predicted (2.10388e-07%) linmin: converged after 6 iterations. iteration 772: trace = 2.451790635889104 (2.10389e-07% change) linmin: converged after 3 iterations. iteration 773: trace = 2.451790631866294 (1.64076e-07% change) linmin: converged after 4 iterations. iteration 774: trace = 2.451790629004165 (1.16736e-07% change) large trace change predicted (2.59117e-07%) linmin: converged after 3 iterations. iteration 775: trace = 2.451790622651026 (2.59122e-07% change) linmin: converged after 28 iterations. iteration 776: trace = 2.451790617774939 (1.98879e-07% change) linmin: converged after 41 iterations. iteration 777: trace = 2.451790614454773 (1.35418e-07% change) large trace change predicted (4.4465e-07%) linmin: converged after 10 iterations. iteration 778: trace = 2.451790603552574 (4.44663e-07% change) linmin: converged after 2 iterations. iteration 779: trace = 2.451790601036911 (1.02605e-07% change) large trace change predicted (4.25772e-07%) linmin: converged after 3 iterations. iteration 780: trace = 2.451790590597636 (4.25782e-07% change) linmin: converged after 7 iterations. iteration 781: trace = 2.451790579825829 (4.39344e-07% change) linmin: converged after 14 iterations. iteration 782: trace = 2.451790574551296 (2.1513e-07% change) linmin: converged after 13 iterations. iteration 783: trace = 2.451790564545433 (4.08104e-07% change) linmin: converged after 5 iterations. iteration 784: trace = 2.451790545719049 (7.67863e-07% change) linmin: converged after 7 iterations. iteration 785: trace = 2.451790540781172 (2.01399e-07% change) large trace change predicted (8.49764e-07%) linmin: converged after 3 iterations. iteration 786: trace = 2.451790519945624 (8.49809e-07% change) linmin: converged after 5 iterations. iteration 787: trace = 2.451790504619401 (6.25103e-07% change) linmin: converged after 3 iterations. iteration 788: trace = 2.451790500210286 (1.79832e-07% change) large trace change predicted (6.03645e-07%) linmin: converged after 29 iterations. iteration 789: trace = 2.451790485409747 (6.03662e-07% change) linmin: converged after 3 iterations. iteration 790: trace = 2.451790478183111 (2.94749e-07% change) linmin: converged after 2 iterations. iteration 791: trace = 2.451790471756252 (2.62129e-07% change) linmin: converged after 2 iterations. iteration 792: trace = 2.451790465907882 (2.38535e-07% change) linmin: converged after 2 iterations. iteration 793: trace = 2.451790456088768 (4.00487e-07% change) linmin: converged after 4 iterations. iteration 794: trace = 2.451790454502006 (6.47185e-08% change) large trace change predicted (3.18739e-07%) linmin: converged after 3 iterations. iteration 795: trace = 2.451790446687117 (3.18742e-07% change) linmin: converged after 15 iterations. iteration 796: trace = 2.451790441956291 (1.92954e-07% change) linmin: converged after 8 iterations. iteration 797: trace = 2.451790438381716 (1.45794e-07% change) linmin: converged after 3 iterations. iteration 798: trace = 2.451790432316161 (2.47393e-07% change) linmin: converged after 3 iterations. iteration 799: trace = 2.451790422671617 (3.93367e-07% change) linmin: converged after 4 iterations. iteration 800: trace = 2.451790414896229 (3.17131e-07% change) linmin: converged after 3 iterations. iteration 801: trace = 2.451790406646796 (3.36466e-07% change) large trace change predicted (9.76693e-07%) linmin: converged after 3 iterations. iteration 802: trace = 2.451790382702573 (9.76602e-07% change) linmin: converged after 5 iterations. iteration 803: trace = 2.451790363817219 (7.70268e-07% change) linmin: converged after 10 iterations. iteration 804: trace = 2.4517903568907 (2.82509e-07% change) large trace change predicted (9.98149e-07%) linmin: converged after 3 iterations. iteration 805: trace = 2.451790332419878 (9.9808e-07% change) linmin: converged after 16 iterations. iteration 806: trace = 2.451790320784752 (4.74556e-07% change) linmin: converged after 2 iterations. iteration 807: trace = 2.451790313134594 (3.12023e-07% change) large trace change predicted (6.32687e-07%) linmin: converged after 23 iterations. iteration 808: trace = 2.451790297623144 (6.32658e-07% change) linmin: converged after 4 iterations. iteration 809: trace = 2.451790290359972 (2.9624e-07% change) linmin: converged after 3 iterations. iteration 810: trace = 2.451790287692853 (1.08782e-07% change) linmin: converged after 3 iterations. iteration 811: trace = 2.451790282854587 (1.97336e-07% change) linmin: converged after 4 iterations. iteration 812: trace = 2.451790279756198 (1.26373e-07% change) linmin: converged after 3 iterations. iteration 813: trace = 2.451790276479701 (1.33637e-07% change) linmin: converged after 15 iterations. iteration 814: trace = 2.451790272536667 (1.60823e-07% change) linmin: converged after 3 iterations. iteration 815: trace = 2.451790267913968 (1.88544e-07% change) linmin: converged after 2 iterations. iteration 816: trace = 2.451790261176152 (2.74812e-07% change) large trace change predicted (6.33614e-07%) linmin: converged after 5 iterations. iteration 817: trace = 2.451790245640817 (6.33632e-07% change) linmin: converged after 3 iterations. iteration 818: trace = 2.451790242196048 (1.405e-07% change) large trace change predicted (6.68976e-07%) linmin: converged after 6 iterations. iteration 819: trace = 2.451790225793085 (6.6902e-07% change) linmin: converged after 3 iterations. iteration 820: trace = 2.451790214931367 (4.43012e-07% change) linmin: converged after 3 iterations. iteration 821: trace = 2.451790204249548 (4.35674e-07% change) linmin: converged after 4 iterations. iteration 822: trace = 2.451790192559152 (4.76811e-07% change) linmin: converged after 12 iterations. iteration 823: trace = 2.451790173094333 (7.93902e-07% change) linmin: converged after 12 iterations. iteration 824: trace = 2.451790163970461 (3.72131e-07% change) linmin: converged after 2 iterations. iteration 825: trace = 2.451790155641833 (3.39696e-07% change) linmin: converged after 4 iterations. iteration 826: trace = 2.451790144055358 (4.72572e-07% change) linmin: converged after 4 iterations. iteration 827: trace = 2.451790139249503 (1.96014e-07% change) linmin: converged after 4 iterations. iteration 828: trace = 2.451790132959311 (2.56555e-07% change) linmin: converged after 7 iterations. iteration 829: trace = 2.451790126201684 (2.7562e-07% change) linmin: converged after 4 iterations. iteration 830: trace = 2.451790119494707 (2.73554e-07% change) linmin: converged after 19 iterations. iteration 831: trace = 2.451790117128251 (9.65196e-08% change) large trace change predicted (3.60377e-07%) linmin: converged after 3 iterations. iteration 832: trace = 2.451790108292434 (3.60382e-07% change) linmin: converged after 3 iterations. iteration 833: trace = 2.451790102780922 (2.24795e-07% change) linmin: converged after 2 iterations. iteration 834: trace = 2.451790094158317 (3.51686e-07% change) linmin: converged after 4 iterations. iteration 835: trace = 2.451790082744421 (4.65533e-07% change) linmin: converged after 2 iterations. iteration 836: trace = 2.451790071925338 (4.41273e-07% change) linmin: converged after 3 iterations. iteration 837: trace = 2.451790059706238 (4.98375e-07% change) linmin: converged after 3 iterations. iteration 838: trace = 2.451790041089682 (7.59305e-07% change) large trace change predicted (1.6614e-06%) linmin: converged after 2 iterations. iteration 839: trace = 2.451790000355201 (1.66142e-06% change) resetting CG direction... linmin: converged after 11 iterations. iteration 840: trace = 2.451789977460324 (9.33803e-07% change) linmin: converged after 23 iterations. iteration 841: trace = 2.451789962440819 (6.12593e-07% change) linmin: converged after 10 iterations. iteration 842: trace = 2.451789954540052 (3.22245e-07% change) linmin: converged after 3 iterations. iteration 843: trace = 2.45178994636457 (3.3345e-07% change) linmin: converged after 3 iterations. iteration 844: trace = 2.451789930240847 (6.57631e-07% change) linmin: converged after 3 iterations. iteration 845: trace = 2.45178992346526 (2.76353e-07% change) linmin: converged after 9 iterations. iteration 846: trace = 2.451789916054229 (3.0227e-07% change) linmin: converged after 4 iterations. iteration 847: trace = 2.451789909288915 (2.75934e-07% change) linmin: converged after 4 iterations. iteration 848: trace = 2.451789907202108 (8.51136e-08% change) large trace change predicted (1.76261e-07%) linmin: converged after 7 iterations. iteration 849: trace = 2.45178990288053 (1.76262e-07% change) linmin: converged after 4 iterations. iteration 850: trace = 2.451789898390064 (1.8315e-07% change) linmin: converged after 3 iterations. iteration 851: trace = 2.451789897043029 (5.49409e-08% change) large trace change predicted (1.39746e-07%) linmin: converged after 4 iterations. iteration 852: trace = 2.451789893616756 (1.39746e-07% change) linmin: converged after 5 iterations. iteration 853: trace = 2.45178988795305 (2.31003e-07% change) linmin: converged after 10 iterations. iteration 854: trace = 2.451789885904609 (8.35488e-08% change) large trace change predicted (4.28608e-07%) linmin: converged after 3 iterations. iteration 855: trace = 2.45178987539689 (4.28573e-07% change) linmin: converged after 3 iterations. iteration 856: trace = 2.451789866145719 (3.77323e-07% change) linmin: converged after 9 iterations. iteration 857: trace = 2.451789862150025 (1.6297e-07% change) linmin: converged after 5 iterations. iteration 858: trace = 2.451789854588379 (3.08413e-07% change) linmin: converged after 6 iterations. iteration 859: trace = 2.45178984550655 (3.70416e-07% change) linmin: converged after 3 iterations. iteration 860: trace = 2.451789841731072 (1.53989e-07% change) linmin: converged after 3 iterations. iteration 861: trace = 2.451789838049492 (1.50159e-07% change) large trace change predicted (3.70192e-07%) linmin: converged after 3 iterations. iteration 862: trace = 2.451789828973432 (3.70181e-07% change) linmin: converged after 4 iterations. iteration 863: trace = 2.451789827466425 (6.14656e-08% change) large trace change predicted (2.64053e-07%) linmin: converged after 13 iterations. iteration 864: trace = 2.451789820992438 (2.64051e-07% change) linmin: converged after 4 iterations. iteration 865: trace = 2.451789817892102 (1.26452e-07% change) linmin: converged after 4 iterations. iteration 866: trace = 2.451789816740759 (4.69593e-08% change) linmin: converged after 3 iterations. iteration 867: trace = 2.451789814856134 (7.68673e-08% change) linmin: converged after 4 iterations. iteration 868: trace = 2.451789812501606 (9.6033e-08% change) linmin: converged after 3 iterations. iteration 869: trace = 2.451789811927205 (2.34278e-08% change) large trace change predicted (1.20254e-07%) linmin: converged after 16 iterations. iteration 870: trace = 2.451789808978752 (1.20257e-07% change) linmin: converged after 4 iterations. iteration 871: trace = 2.451789805513894 (1.4132e-07% change) linmin: converged after 4 iterations. iteration 872: trace = 2.451789801873024 (1.48498e-07% change) linmin: converged after 7 iterations. iteration 873: trace = 2.45178979970137 (8.85742e-08% change) large trace change predicted (3.49009e-07%) linmin: converged after 24 iterations. iteration 874: trace = 2.451789791143846 (3.49032e-07% change) linmin: converged after 5 iterations. iteration 875: trace = 2.451789785179634 (2.4326e-07% change) linmin: converged after 5 iterations. iteration 876: trace = 2.451789780985239 (1.71075e-07% change) large trace change predicted (4.49463e-07%) linmin: converged after 3 iterations. iteration 877: trace = 2.451789769964197 (4.4951e-07% change) linmin: converged after 8 iterations. iteration 878: trace = 2.451789761685802 (3.37647e-07% change) linmin: converged after 18 iterations. iteration 879: trace = 2.451789760537765 (4.68244e-08% change) large trace change predicted (1.67528e-07%) linmin: converged after 30 iterations. iteration 880: trace = 2.451789756430173 (1.67534e-07% change) linmin: converged after 4 iterations. iteration 881: trace = 2.45178975502185 (5.74406e-08% change) linmin: converged after 2 iterations. iteration 882: trace = 2.451789753754607 (5.16864e-08% change) large trace change predicted (1.053e-07%) linmin: converged after 4 iterations. iteration 883: trace = 2.451789751172869 (1.053e-07% change) linmin: converged after 4 iterations. iteration 884: trace = 2.451789749794801 (5.62066e-08% change) linmin: converged after 2 iterations. iteration 885: trace = 2.451789748409642 (5.64958e-08% change) linmin: converged after 23 iterations. iteration 886: trace = 2.451789745920097 (1.0154e-07% change) linmin: converged after 29 iterations. iteration 887: trace = 2.451789745032961 (3.61832e-08% change) large trace change predicted (1.02846e-07%) linmin: converged after 4 iterations. iteration 888: trace = 2.451789742511397 (1.02846e-07% change) linmin: converged after 2 iterations. iteration 889: trace = 2.451789740159786 (9.5914e-08% change) linmin: converged after 4 iterations. iteration 890: trace = 2.451789738231532 (7.86468e-08% change) linmin: converged after 10 iterations. iteration 891: trace = 2.451789736194057 (8.31015e-08% change) large trace change predicted (1.96708e-07%) linmin: converged after 3 iterations. iteration 892: trace = 2.451789731371216 (1.96707e-07% change) linmin: converged after 2 iterations. iteration 893: trace = 2.451789729178726 (8.94241e-08% change) large trace change predicted (2.05285e-07%) linmin: converged after 4 iterations. iteration 894: trace = 2.451789724145625 (2.05283e-07% change) linmin: converged after 5 iterations. iteration 895: trace = 2.451789719887918 (1.73657e-07% change) linmin: converged after 4 iterations. iteration 896: trace = 2.451789718280591 (6.55573e-08% change) large trace change predicted (1.39833e-07%) linmin: converged after 4 iterations. iteration 897: trace = 2.451789714852203 (1.39832e-07% change) linmin: converged after 3 iterations. iteration 898: trace = 2.45178971059834 (1.735e-07% change) linmin: converged after 3 iterations. iteration 899: trace = 2.451789708114791 (1.01295e-07% change) linmin: converged after 3 iterations. iteration 900: trace = 2.451789707301085 (3.31882e-08% change) large trace change predicted (1.11164e-07%) linmin: converged after 3 iterations. iteration 901: trace = 2.451789704575611 (1.11163e-07% change) linmin: converged after 3 iterations. iteration 902: trace = 2.451789703829294 (3.04397e-08% change) large trace change predicted (6.90525e-08%) linmin: converged after 4 iterations. iteration 903: trace = 2.451789702136293 (6.90517e-08% change) linmin: converged after 4 iterations. iteration 904: trace = 2.451789700742548 (5.6846e-08% change) linmin: converged after 4 iterations. iteration 905: trace = 2.451789699853768 (3.62503e-08% change) linmin: converged after 6 iterations. iteration 906: trace = 2.451789698889618 (3.93243e-08% change) linmin: converged after 3 iterations. iteration 907: trace = 2.451789697305788 (6.45989e-08% change) linmin: converged after 4 iterations. iteration 908: trace = 2.451789696797038 (2.07502e-08% change) linmin: converged after 3 iterations. iteration 909: trace = 2.451789696090021 (2.88368e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 910: trace = 2.451789695532127 (2.27546e-08% change) linmin: converged after 4 iterations. iteration 911: trace = 2.451789695192633 (1.38468e-08% change) large trace change predicted (5.46422e-08%) linmin: converged after 4 iterations. iteration 912: trace = 2.451789693852913 (5.46425e-08% change) linmin: converged after 4 iterations. iteration 913: trace = 2.45178969296577 (3.61835e-08% change) linmin: converged after 29 iterations. iteration 914: trace = 2.451789692256897 (2.89125e-08% change) linmin: converged after 4 iterations. iteration 915: trace = 2.451789690880775 (5.61273e-08% change) linmin: converged after 4 iterations. iteration 916: trace = 2.451789689025091 (7.56869e-08% change) linmin: converged after 4 iterations. iteration 917: trace = 2.451789688393759 (2.57499e-08% change) large trace change predicted (9.60584e-08%) linmin: converged after 11 iterations. iteration 918: trace = 2.451789686038563 (9.60603e-08% change) linmin: converged after 6 iterations. iteration 919: trace = 2.451789685352561 (2.79796e-08% change) large trace change predicted (7.78914e-08%) linmin: converged after 10 iterations. iteration 920: trace = 2.451789683442789 (7.7893e-08% change) linmin: converged after 10 iterations. iteration 921: trace = 2.451789680487478 (1.20537e-07% change) linmin: converged after 3 iterations. iteration 922: trace = 2.451789678148919 (9.53817e-08% change) linmin: converged after 6 iterations. iteration 923: trace = 2.451789676118075 (8.28311e-08% change) linmin: converged after 3 iterations. iteration 924: trace = 2.451789672772136 (1.36469e-07% change) linmin: converged after 4 iterations. iteration 925: trace = 2.451789670943917 (7.45667e-08% change) large trace change predicted (1.65599e-07%) linmin: converged after 3 iterations. iteration 926: trace = 2.451789666883653 (1.65604e-07% change) linmin: converged after 3 iterations. iteration 927: trace = 2.451789663415842 (1.4144e-07% change) linmin: converged after 10 iterations. iteration 928: trace = 2.451789662080496 (5.44641e-08% change) linmin: converged after 7 iterations. iteration 929: trace = 2.45178966013555 (7.93276e-08% change) linmin: converged after 4 iterations. iteration 930: trace = 2.451789658119315 (8.22352e-08% change) linmin: converged after 6 iterations. iteration 931: trace = 2.451789656545261 (6.42002e-08% change) linmin: converged after 3 iterations. iteration 932: trace = 2.451789655463911 (4.41045e-08% change) linmin: converged after 10 iterations. iteration 933: trace = 2.451789653574261 (7.70723e-08% change) linmin: converged after 3 iterations. iteration 934: trace = 2.451789653064909 (2.07747e-08% change) large trace change predicted (4.58778e-08%) linmin: converged after 11 iterations. iteration 935: trace = 2.451789651940075 (4.58781e-08% change) linmin: converged after 2 iterations. iteration 936: trace = 2.451789650184496 (7.1604e-08% change) linmin: converged after 4 iterations. iteration 937: trace = 2.451789649634026 (2.24517e-08% change) large trace change predicted (4.9353e-08%) linmin: converged after 24 iterations. iteration 938: trace = 2.451789648423998 (4.93529e-08% change) linmin: converged after 30 iterations. iteration 939: trace = 2.451789646147557 (9.28482e-08% change) linmin: converged after 4 iterations. iteration 940: trace = 2.451789645124152 (4.17411e-08% change) large trace change predicted (1.31678e-07%) linmin: converged after 4 iterations. iteration 941: trace = 2.451789641895848 (1.31671e-07% change) large trace change predicted (2.72306e-07%) linmin: converged after 4 iterations. iteration 942: trace = 2.451789635219978 (2.72286e-07% change) linmin: converged after 3 iterations. iteration 943: trace = 2.451789631450514 (1.53743e-07% change) linmin: converged after 4 iterations. iteration 944: trace = 2.451789629228737 (9.06186e-08% change) large trace change predicted (1.89667e-07%) linmin: converged after 16 iterations. iteration 945: trace = 2.451789624578625 (1.89662e-07% change) linmin: converged after 19 iterations. iteration 946: trace = 2.451789620712525 (1.57685e-07% change) linmin: converged after 4 iterations. iteration 947: trace = 2.451789619792913 (3.75078e-08% change) large trace change predicted (8.0368e-08%) linmin: converged after 13 iterations. iteration 948: trace = 2.451789617822488 (8.03668e-08% change) linmin: converged after 4 iterations. iteration 949: trace = 2.451789616047089 (7.24124e-08% change) linmin: converged after 16 iterations. iteration 950: trace = 2.451789615670632 (1.53544e-08% change) large trace change predicted (3.52759e-08%) linmin: converged after 6 iterations. iteration 951: trace = 2.451789614805742 (3.52758e-08% change) linmin: converged after 4 iterations. iteration 952: trace = 2.451789614067437 (3.01129e-08% change) linmin: converged after 6 iterations. iteration 953: trace = 2.45178961362315 (1.81209e-08% change) large trace change predicted (5.49935e-08%) linmin: converged after 19 iterations. iteration 954: trace = 2.451789612274828 (5.49934e-08% change) large trace change predicted (1.16244e-07%) linmin: converged after 16 iterations. iteration 955: trace = 2.451789609424756 (1.16245e-07% change) linmin: converged after 4 iterations. iteration 956: trace = 2.451789608625868 (3.25839e-08% change) large trace change predicted (1.60517e-07%) linmin: converged after 22 iterations. iteration 957: trace = 2.45178960469024 (1.60521e-07% change) linmin: converged after 6 iterations. iteration 958: trace = 2.45178960295595 (7.07357e-08% change) linmin: converged after 5 iterations. iteration 959: trace = 2.451789601561729 (5.68654e-08% change) large trace change predicted (1.52983e-07%) linmin: converged after 5 iterations. iteration 960: trace = 2.451789597810753 (1.52989e-07% change) linmin: converged after 4 iterations. iteration 961: trace = 2.451789594301877 (1.43115e-07% change) linmin: converged after 4 iterations. iteration 962: trace = 2.451789592865812 (5.85721e-08% change) large trace change predicted (1.49744e-07%) linmin: converged after 10 iterations. iteration 963: trace = 2.451789589194351 (1.49746e-07% change) linmin: converged after 22 iterations. iteration 964: trace = 2.451789586012627 (1.29771e-07% change) linmin: converged after 4 iterations. iteration 965: trace = 2.451789585043062 (3.95452e-08% change) large trace change predicted (1.09737e-07%) linmin: converged after 5 iterations. iteration 966: trace = 2.451789582352453 (1.09741e-07% change) linmin: converged after 6 iterations. iteration 967: trace = 2.451789581526415 (3.36912e-08% change) linmin: converged after 6 iterations. iteration 968: trace = 2.451789580687232 (3.42274e-08% change) linmin: converged after 4 iterations. iteration 969: trace = 2.451789579108389 (6.43955e-08% change) linmin: converged after 2 iterations. iteration 970: trace = 2.451789577926727 (4.81959e-08% change) linmin: converged after 4 iterations. iteration 971: trace = 2.451789577003789 (3.76434e-08% change) linmin: converged after 3 iterations. iteration 972: trace = 2.451789575216607 (7.2893e-08% change) linmin: converged after 21 iterations. iteration 973: trace = 2.451789572940487 (9.28351e-08% change) linmin: converged after 7 iterations. iteration 974: trace = 2.451789571783753 (4.71792e-08% change) large trace change predicted (1.45462e-07%) linmin: converged after 4 iterations. iteration 975: trace = 2.451789568217341 (1.45462e-07% change) linmin: converged after 2 iterations. iteration 976: trace = 2.451789564519976 (1.50803e-07% change) linmin: converged after 3 iterations. iteration 977: trace = 2.451789563010017 (6.1586e-08% change) large trace change predicted (1.50793e-07%) linmin: converged after 9 iterations. iteration 978: trace = 2.451789559312897 (1.50793e-07% change) large trace change predicted (7.6863e-07%) linmin: converged after 19 iterations. iteration 979: trace = 2.451789540467503 (7.68638e-07% change) resetting CG direction... linmin: converged after 19 iterations. iteration 980: trace = 2.451789537066669 (1.38708e-07% change) linmin: converged after 8 iterations. iteration 981: trace = 2.451789530651336 (2.61659e-07% change) linmin: converged after 6 iterations. iteration 982: trace = 2.451789527468208 (1.29829e-07% change) linmin: converged after 4 iterations. iteration 983: trace = 2.451789526092644 (5.61045e-08% change) large trace change predicted (2.72488e-07%) linmin: converged after 7 iterations. iteration 984: trace = 2.451789519411802 (2.72488e-07% change) linmin: converged after 3 iterations. iteration 985: trace = 2.451789517758855 (6.7418e-08% change) linmin: converged after 4 iterations. iteration 986: trace = 2.451789516172273 (6.47112e-08% change) linmin: converged after 4 iterations. iteration 987: trace = 2.451789514759686 (5.76145e-08% change) linmin: converged after 4 iterations. iteration 988: trace = 2.451789513961216 (3.25668e-08% change) linmin: converged after 4 iterations. iteration 989: trace = 2.451789513380471 (2.36866e-08% change) linmin: converged after 2 iterations. iteration 990: trace = 2.451789512269225 (4.53239e-08% change) linmin: converged after 14 iterations. iteration 991: trace = 2.451789511890416 (1.54503e-08% change) linmin: converged after 4 iterations. iteration 992: trace = 2.451789511207745 (2.78438e-08% change) linmin: converged after 4 iterations. iteration 993: trace = 2.451789510261432 (3.85968e-08% change) linmin: converged after 8 iterations. iteration 994: trace = 2.451789509664133 (2.43617e-08% change) linmin: converged after 3 iterations. iteration 995: trace = 2.451789509112039 (2.2518e-08% change) large trace change predicted (5.86531e-08%) linmin: converged after 4 iterations. iteration 996: trace = 2.451789507674024 (5.86516e-08% change) linmin: converged after 7 iterations. iteration 997: trace = 2.451789506071441 (6.53638e-08% change) linmin: converged after 4 iterations. iteration 998: trace = 2.451789505411641 (2.69109e-08% change) large trace change predicted (7.77739e-08%) linmin: converged after 5 iterations. iteration 999: trace = 2.451789503504842 (7.77717e-08% change) linmin: converged after 13 iterations. iteration 1000: trace = 2.451789501435598 (8.43973e-08% change) linmin: converged after 5 iterations. iteration 1001: trace = 2.45178950075318 (2.78335e-08% change) linmin: converged after 28 iterations. iteration 1002: trace = 2.45178949952312 (5.01699e-08% change) linmin: converged after 11 iterations. iteration 1003: trace = 2.451789498714583 (3.29774e-08% change) linmin: converged after 2 iterations. iteration 1004: trace = 2.451789498245937 (1.91145e-08% change) large trace change predicted (5.37456e-08%) linmin: converged after 6 iterations. iteration 1005: trace = 2.451789496928215 (5.37453e-08% change) linmin: converged after 13 iterations. iteration 1006: trace = 2.451789496629202 (1.21957e-08% change) large trace change predicted (2.48379e-08%) linmin: converged after 4 iterations. iteration 1007: trace = 2.451789496020224 (2.48381e-08% change) linmin: converged after 7 iterations. iteration 1008: trace = 2.451789495448359 (2.33244e-08% change) linmin: converged after 5 iterations. iteration 1009: trace = 2.451789495154706 (1.19771e-08% change) linmin: converged after 4 iterations. iteration 1010: trace = 2.451789494958499 (8.00262e-09% change) large trace change predicted (1.83003e-08%) linmin: converged after 4 iterations. iteration 1011: trace = 2.451789494509814 (1.83003e-08% change) linmin: converged after 6 iterations. iteration 1012: trace = 2.451789493926796 (2.37793e-08% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.451789493559319 (1.49881e-08% change) large trace change predicted (3.54129e-08%) linmin: converged after 7 iterations. iteration 1014: trace = 2.451789492691058 (3.54133e-08% change) linmin: converged after 12 iterations. iteration 1015: trace = 2.451789491120426 (6.40606e-08% change) linmin: converged after 4 iterations. iteration 1016: trace = 2.451789490601646 (2.11593e-08% change) large trace change predicted (7.90516e-08%) linmin: converged after 13 iterations. iteration 1017: trace = 2.451789488663391 (7.90547e-08% change) linmin: converged after 6 iterations. iteration 1018: trace = 2.451789487223133 (5.87432e-08% change) linmin: converged after 19 iterations. iteration 1019: trace = 2.451789486645812 (2.35469e-08% change) linmin: converged after 3 iterations. iteration 1020: trace = 2.451789485574675 (4.3688e-08% change) linmin: converged after 4 iterations. iteration 1021: trace = 2.451789484829076 (3.04104e-08% change) linmin: converged after 10 iterations. iteration 1022: trace = 2.451789484534675 (1.20076e-08% change) linmin: converged after 3 iterations. iteration 1023: trace = 2.451789484016563 (2.1132e-08% change) linmin: converged after 27 iterations. iteration 1024: trace = 2.451789483505399 (2.08486e-08% change) linmin: converged after 30 iterations. iteration 1025: trace = 2.451789483364833 (5.73319e-09% change) large trace change predicted (1.29687e-08%) linmin: converged after 17 iterations. iteration 1026: trace = 2.451789483046869 (1.29687e-08% change) linmin: converged after 3 iterations. iteration 1027: trace = 2.451789482645117 (1.63861e-08% change) linmin: converged after 2 iterations. iteration 1028: trace = 2.451789482520285 (5.09149e-09% change) large trace change predicted (2.61039e-08%) linmin: converged after 4 iterations. iteration 1029: trace = 2.451789481880271 (2.61039e-08% change) linmin: converged after 4 iterations. iteration 1030: trace = 2.451789481314424 (2.3079e-08% change) linmin: converged after 22 iterations. iteration 1031: trace = 2.451789481107729 (8.43034e-09% change) large trace change predicted (2.19162e-08%) linmin: converged after 3 iterations. iteration 1032: trace = 2.451789480570395 (2.1916e-08% change) linmin: converged after 16 iterations. iteration 1033: trace = 2.451789480112334 (1.86827e-08% change) linmin: converged after 2 iterations. iteration 1034: trace = 2.451789479839993 (1.11078e-08% change) large trace change predicted (4.26785e-08%) linmin: converged after 17 iterations. iteration 1035: trace = 2.451789478793633 (4.26774e-08% change) linmin: converged after 4 iterations. iteration 1036: trace = 2.451789477878244 (3.73355e-08% change) linmin: converged after 4 iterations. iteration 1037: trace = 2.451789477327794 (2.24509e-08% change) linmin: converged after 28 iterations. iteration 1038: trace = 2.451789476574513 (3.07237e-08% change) linmin: converged after 4 iterations. iteration 1039: trace = 2.451789475854823 (2.93537e-08% change) linmin: converged after 25 iterations. iteration 1040: trace = 2.451789475685659 (6.89962e-09% change) large trace change predicted (1.49048e-08%) linmin: converged after 26 iterations. iteration 1041: trace = 2.451789475320226 (1.49047e-08% change) linmin: converged after 4 iterations. iteration 1042: trace = 2.451789474890579 (1.75238e-08% change) linmin: converged after 23 iterations. iteration 1043: trace = 2.451789474738761 (6.19213e-09% change) large trace change predicted (1.26808e-08%) linmin: converged after 4 iterations. iteration 1044: trace = 2.451789474427854 (1.26808e-08% change) linmin: converged after 4 iterations. iteration 1045: trace = 2.451789474132331 (1.20534e-08% change) linmin: converged after 23 iterations. iteration 1046: trace = 2.451789474009791 (4.99795e-09% change) linmin: converged after 4 iterations. iteration 1047: trace = 2.45178947377637 (9.52045e-09% change) linmin: converged after 3 iterations. iteration 1048: trace = 2.45178947353842 (9.70516e-09% change) linmin: converged after 3 iterations. iteration 1049: trace = 2.451789473394332 (5.87686e-09% change) resetting CG direction... linmin: converged after 14 iterations. iteration 1050: trace = 2.451789473340193 (2.20812e-09% change) large trace change predicted (7.0479e-09%) linmin: converged after 29 iterations. iteration 1051: trace = 2.451789473167392 (7.04797e-09% change) linmin: converged after 22 iterations. iteration 1052: trace = 2.451789473069313 (4.0003e-09% change) linmin: converged after 19 iterations. iteration 1053: trace = 2.451789472952323 (4.77162e-09% change) large trace change predicted (1.23082e-08%) linmin: converged after 22 iterations. iteration 1054: trace = 2.451789472650552 (1.23082e-08% change) linmin: converged after 2 iterations. iteration 1055: trace = 2.451789472379784 (1.10437e-08% change) linmin: converged after 4 iterations. iteration 1056: trace = 2.451789472108007 (1.10848e-08% change) linmin: converged after 6 iterations. iteration 1057: trace = 2.45178947174138 (1.49534e-08% change) linmin: converged after 4 iterations. iteration 1058: trace = 2.451789471623635 (4.80244e-09% change) large trace change predicted (1.25608e-08%) linmin: converged after 4 iterations. iteration 1059: trace = 2.451789471315672 (1.25607e-08% change) linmin: converged after 4 iterations. iteration 1060: trace = 2.451789470883876 (1.76115e-08% change) linmin: converged after 18 iterations. iteration 1061: trace = 2.451789470715545 (6.86561e-09% change) large trace change predicted (2.71039e-08%) linmin: converged after 4 iterations. iteration 1062: trace = 2.451789470051004 (2.71043e-08% change) linmin: converged after 27 iterations. iteration 1063: trace = 2.451789469299056 (3.06693e-08% change) linmin: converged after 16 iterations. iteration 1064: trace = 2.451789468863375 (1.77699e-08% change) linmin: converged after 8 iterations. iteration 1065: trace = 2.451789468237607 (2.55229e-08% change) linmin: converged after 12 iterations. iteration 1066: trace = 2.451789467500592 (3.00603e-08% change) linmin: converged after 2 iterations. iteration 1067: trace = 2.451789467291868 (8.51314e-09% change) linmin: converged after 25 iterations. iteration 1068: trace = 2.451789467002349 (1.18085e-08% change) linmin: converged after 4 iterations. iteration 1069: trace = 2.451789466445772 (2.27009e-08% change) linmin: converged after 2 iterations. iteration 1070: trace = 2.451789466308441 (5.60124e-09% change) large trace change predicted (1.5473e-08%) linmin: converged after 4 iterations. iteration 1071: trace = 2.451789465929071 (1.54732e-08% change) linmin: converged after 6 iterations. iteration 1072: trace = 2.451789465600307 (1.34091e-08% change) linmin: converged after 5 iterations. iteration 1073: trace = 2.451789465429862 (6.95188e-09% change) linmin: converged after 2 iterations. iteration 1074: trace = 2.451789465262935 (6.80837e-09% change) linmin: converged after 4 iterations. iteration 1075: trace = 2.451789464957589 (1.2454e-08% change) linmin: converged after 15 iterations. iteration 1076: trace = 2.451789464731787 (9.2097e-09% change) linmin: converged after 13 iterations. iteration 1077: trace = 2.451789464634258 (3.97787e-09% change) large trace change predicted (1.88666e-08%) linmin: converged after 7 iterations. iteration 1078: trace = 2.451789464171691 (1.88665e-08% change) linmin: converged after 9 iterations. iteration 1079: trace = 2.451789463820691 (1.43161e-08% change) linmin: converged after 10 iterations. iteration 1080: trace = 2.451789463290387 (2.16293e-08% change) linmin: converged after 3 iterations. iteration 1081: trace = 2.451789462505064 (3.20306e-08% change) linmin: converged after 5 iterations. iteration 1082: trace = 2.451789461642312 (3.51887e-08% change) linmin: converged after 20 iterations. iteration 1083: trace = 2.451789461216411 (1.7371e-08% change) linmin: converged after 7 iterations. iteration 1084: trace = 2.451789460431266 (3.20233e-08% change) linmin: converged after 4 iterations. iteration 1085: trace = 2.451789459523806 (3.70121e-08% change) linmin: converged after 4 iterations. iteration 1086: trace = 2.451789459085652 (1.78708e-08% change) linmin: converged after 4 iterations. iteration 1087: trace = 2.451789458865256 (8.9892e-09% change) linmin: converged after 4 iterations. iteration 1088: trace = 2.451789458489254 (1.53358e-08% change) linmin: converged after 4 iterations. iteration 1089: trace = 2.451789458399102 (3.677e-09% change) linmin: converged after 16 iterations. iteration 1090: trace = 2.451789458234436 (6.71614e-09% change) linmin: converged after 9 iterations. iteration 1091: trace = 2.451789458097767 (5.57423e-09% change) linmin: converged after 4 iterations. iteration 1092: trace = 2.451789457930887 (6.80649e-09% change) linmin: converged after 4 iterations. iteration 1093: trace = 2.451789457724809 (8.40518e-09% change) large trace change predicted (2.28846e-08%) linmin: converged after 4 iterations. iteration 1094: trace = 2.451789457163727 (2.28846e-08% change) linmin: converged after 4 iterations. iteration 1095: trace = 2.451789457030106 (5.44996e-09% change) large trace change predicted (2.15371e-08%) linmin: converged after 4 iterations. iteration 1096: trace = 2.451789456502057 (2.15373e-08% change) linmin: converged after 5 iterations. iteration 1097: trace = 2.451789455944971 (2.27216e-08% change) linmin: converged after 27 iterations. iteration 1098: trace = 2.451789455775301 (6.92025e-09% change) large trace change predicted (2.45822e-08%) linmin: converged after 4 iterations. iteration 1099: trace = 2.451789455172591 (2.45824e-08% change) linmin: converged after 4 iterations. iteration 1100: trace = 2.451789454633867 (2.19727e-08% change) linmin: converged after 7 iterations. iteration 1101: trace = 2.451789454389999 (9.94653e-09% change) large trace change predicted (3.51815e-08%) linmin: converged after 10 iterations. iteration 1102: trace = 2.451789453527398 (3.51825e-08% change) linmin: converged after 4 iterations. iteration 1103: trace = 2.451789452741131 (3.20691e-08% change) linmin: converged after 29 iterations. iteration 1104: trace = 2.451789452599005 (5.79682e-09% change) large trace change predicted (1.69031e-08%) linmin: converged after 3 iterations. iteration 1105: trace = 2.451789452184572 (1.69033e-08% change) linmin: converged after 7 iterations. iteration 1106: trace = 2.451789451905479 (1.13832e-08% change) linmin: converged after 15 iterations. iteration 1107: trace = 2.451789451565187 (1.38793e-08% change) linmin: converged after 6 iterations. iteration 1108: trace = 2.451789451498213 (2.73165e-09% change) large trace change predicted (1.33915e-08%) linmin: converged after 4 iterations. iteration 1109: trace = 2.451789451169878 (1.33917e-08% change) linmin: converged after 13 iterations. iteration 1110: trace = 2.451789450840204 (1.34462e-08% change) linmin: converged after 3 iterations. iteration 1111: trace = 2.451789450704672 (5.52788e-09% change) large trace change predicted (1.30728e-08%) linmin: converged after 3 iterations. iteration 1112: trace = 2.451789450384157 (1.30727e-08% change) linmin: converged after 10 iterations. iteration 1113: trace = 2.451789449990325 (1.6063e-08% change) linmin: converged after 4 iterations. iteration 1114: trace = 2.45178944965797 (1.35556e-08% change) large trace change predicted (2.77132e-08%) linmin: converged after 4 iterations. iteration 1115: trace = 2.451789448978503 (2.77131e-08% change) linmin: converged after 5 iterations. iteration 1116: trace = 2.451789448067135 (3.71715e-08% change) linmin: converged after 8 iterations. iteration 1117: trace = 2.451789447359738 (2.88523e-08% change) large trace change predicted (7.06892e-08%) linmin: converged after 4 iterations. iteration 1118: trace = 2.451789445626581 (7.06895e-08% change) linmin: converged after 2 iterations. iteration 1119: trace = 2.451789443394634 (9.10334e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1120: trace = 2.451789442313733 (4.40862e-08% change) linmin: converged after 3 iterations. iteration 1121: trace = 2.451789441412617 (3.67534e-08% change) linmin: converged after 3 iterations. iteration 1122: trace = 2.451789440539359 (3.56171e-08% change) linmin: converged after 4 iterations. iteration 1123: trace = 2.45178944024793 (1.18864e-08% change) large trace change predicted (4.02494e-08%) linmin: converged after 4 iterations. iteration 1124: trace = 2.451789439261101 (4.02494e-08% change) linmin: converged after 4 iterations. iteration 1125: trace = 2.451789438740272 (2.12428e-08% change) linmin: converged after 19 iterations. iteration 1126: trace = 2.45178943860387 (5.56338e-09% change) large trace change predicted (1.50118e-08%) linmin: converged after 5 iterations. iteration 1127: trace = 2.451789438235809 (1.50119e-08% change) linmin: converged after 7 iterations. iteration 1128: trace = 2.451789438053766 (7.4249e-09% change) linmin: converged after 14 iterations. iteration 1129: trace = 2.451789437966053 (3.57751e-09% change) linmin: converged after 2 iterations. iteration 1130: trace = 2.451789437802506 (6.67055e-09% change) linmin: converged after 3 iterations. iteration 1131: trace = 2.451789437663306 (5.67748e-09% change) linmin: converged after 3 iterations. iteration 1132: trace = 2.451789437626805 (1.48873e-09% change) large trace change predicted (7.8177e-09%) linmin: converged after 10 iterations. iteration 1133: trace = 2.451789437435133 (7.81766e-09% change) linmin: converged after 27 iterations. iteration 1134: trace = 2.451789437295898 (5.67889e-09% change) linmin: converged after 27 iterations. iteration 1135: trace = 2.451789437199537 (3.93026e-09% change) linmin: converged after 4 iterations. iteration 1136: trace = 2.451789437019662 (7.33645e-09% change) linmin: converged after 4 iterations. iteration 1137: trace = 2.451789436785209 (9.56254e-09% change) linmin: converged after 4 iterations. iteration 1138: trace = 2.451789436659995 (5.10703e-09% change) large trace change predicted (1.15606e-08%) linmin: converged after 4 iterations. iteration 1139: trace = 2.451789436376557 (1.15605e-08% change) linmin: converged after 4 iterations. iteration 1140: trace = 2.451789436073135 (1.23755e-08% change) linmin: converged after 5 iterations. iteration 1141: trace = 2.451789435970458 (4.18784e-09% change) large trace change predicted (1.53403e-08%) linmin: converged after 3 iterations. iteration 1142: trace = 2.451789435594351 (1.53401e-08% change) linmin: converged after 4 iterations. iteration 1143: trace = 2.451789435423259 (6.97822e-09% change) linmin: converged after 14 iterations. iteration 1144: trace = 2.451789435308456 (4.68245e-09% change) linmin: converged after 2 iterations. iteration 1145: trace = 2.451789435134984 (7.0753e-09% change) linmin: converged after 13 iterations. iteration 1146: trace = 2.451789434911012 (9.13504e-09% change) linmin: converged after 16 iterations. iteration 1147: trace = 2.451789434876686 (1.40007e-09% change) large trace change predicted (4.49922e-09%) linmin: converged after 4 iterations. iteration 1148: trace = 2.451789434766376 (4.49916e-09% change) linmin: converged after 2 iterations. iteration 1149: trace = 2.451789434699573 (2.72466e-09% change) linmin: converged after 21 iterations. iteration 1150: trace = 2.451789434633552 (2.69275e-09% change) linmin: converged after 2 iterations. iteration 1151: trace = 2.45178943460816 (1.03564e-09% change) large trace change predicted (3.80951e-09%) linmin: converged after 5 iterations. iteration 1152: trace = 2.45178943451476 (3.80948e-09% change) linmin: converged after 4 iterations. iteration 1153: trace = 2.451789434425217 (3.65215e-09% change) linmin: converged after 4 iterations. iteration 1154: trace = 2.451789434335232 (3.67017e-09% change) large trace change predicted (8.31516e-09%) linmin: converged after 14 iterations. iteration 1155: trace = 2.451789434131363 (8.31513e-09% change) linmin: converged after 4 iterations. iteration 1156: trace = 2.45178943393298 (8.09136e-09% change) linmin: converged after 4 iterations. iteration 1157: trace = 2.451789433711798 (9.02122e-09% change) linmin: converged after 7 iterations. iteration 1158: trace = 2.45178943335478 (1.45615e-08% change) linmin: converged after 22 iterations. iteration 1159: trace = 2.451789433231098 (5.04458e-09% change) linmin: converged after 17 iterations. iteration 1160: trace = 2.451789433127724 (4.21626e-09% change) large trace change predicted (9.31678e-09%) linmin: converged after 6 iterations. iteration 1161: trace = 2.451789432899292 (9.31697e-09% change) linmin: converged after 13 iterations. iteration 1162: trace = 2.451789432823323 (3.09851e-09% change) linmin: converged after 6 iterations. iteration 1163: trace = 2.451789432758604 (2.63964e-09% change) linmin: converged after 5 iterations. iteration 1164: trace = 2.451789432686505 (2.94068e-09% change) linmin: converged after 15 iterations. iteration 1165: trace = 2.451789432631575 (2.24042e-09% change) linmin: converged after 4 iterations. iteration 1166: trace = 2.451789432594144 (1.52668e-09% change) large trace change predicted (3.14127e-09%) linmin: converged after 18 iterations. iteration 1167: trace = 2.45178943251713 (3.14113e-09% change) linmin: converged after 15 iterations. iteration 1168: trace = 2.451789432469725 (1.93348e-09% change) linmin: converged after 10 iterations. iteration 1169: trace = 2.451789432432617 (1.51349e-09% change) large trace change predicted (4.42718e-09%) linmin: converged after 21 iterations. iteration 1170: trace = 2.451789432324072 (4.4272e-09% change) linmin: converged after 20 iterations. iteration 1171: trace = 2.451789432236259 (3.5816e-09% change) linmin: converged after 4 iterations. iteration 1172: trace = 2.451789432179819 (2.30196e-09% change) large trace change predicted (4.9233e-09%) linmin: converged after 11 iterations. iteration 1173: trace = 2.45178943205911 (4.92329e-09% change) linmin: converged after 8 iterations. iteration 1174: trace = 2.451789431991945 (2.73946e-09% change) linmin: converged after 27 iterations. iteration 1175: trace = 2.451789431908971 (3.38419e-09% change) large trace change predicted (6.94826e-09%) linmin: converged after 4 iterations. iteration 1176: trace = 2.451789431738616 (6.9482e-09% change) linmin: converged after 4 iterations. iteration 1177: trace = 2.451789431642802 (3.90792e-09% change) linmin: converged after 5 iterations. iteration 1178: trace = 2.451789431539307 (4.22122e-09% change) linmin: converged after 6 iterations. iteration 1179: trace = 2.45178943138418 (6.32708e-09% change) linmin: converged after 4 iterations. iteration 1180: trace = 2.451789431253298 (5.33824e-09% change) linmin: converged after 5 iterations. iteration 1181: trace = 2.451789431229636 (9.65071e-10% change) large trace change predicted (2.90763e-09%) linmin: converged after 21 iterations. iteration 1182: trace = 2.451789431158348 (2.9076e-09% change) linmin: converged after 4 iterations. iteration 1183: trace = 2.451789431119777 (1.57319e-09% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.451789431099772 (8.15912e-10% change) large trace change predicted (3.05387e-09%) linmin: converged after 6 iterations. iteration 1185: trace = 2.451789431024899 (3.05381e-09% change) linmin: converged after 16 iterations. iteration 1186: trace = 2.451789430963193 (2.51678e-09% change) linmin: converged after 12 iterations. iteration 1187: trace = 2.451789430949299 (5.66679e-10% change) large trace change predicted (1.20028e-09%) linmin: converged after 3 iterations. iteration 1188: trace = 2.451789430919873 (1.20019e-09% change) linmin: converged after 3 iterations. iteration 1189: trace = 2.451789430885567 (1.3992e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1190: trace = 2.451789430877399 (3.33168e-10% change) large trace change predicted (6.67766e-10%) linmin: converged after 2 iterations. iteration 1191: trace = 2.451789430861028 (6.67731e-10% change) linmin: converged after 15 iterations. iteration 1192: trace = 2.451789430834702 (1.07371e-09% change) linmin: converged after 3 iterations. iteration 1193: trace = 2.451789430821104 (5.54616e-10% change) large trace change predicted (2.2624e-09%) linmin: converged after 7 iterations. iteration 1194: trace = 2.451789430765634 (2.26242e-09% change) linmin: converged after 4 iterations. iteration 1195: trace = 2.451789430700595 (2.65272e-09% change) linmin: converged after 5 iterations. iteration 1196: trace = 2.45178943067563 (1.01827e-09% change) large trace change predicted (2.13525e-09%) linmin: converged after 4 iterations. iteration 1197: trace = 2.451789430623279 (2.1352e-09% change) linmin: converged after 3 iterations. iteration 1198: trace = 2.451789430564328 (2.40439e-09% change) linmin: converged after 4 iterations. iteration 1199: trace = 2.451789430541818 (9.18123e-10% change) large trace change predicted (3.30942e-09%) linmin: converged after 27 iterations. iteration 1200: trace = 2.45178943046068 (3.30933e-09% change) linmin: converged after 7 iterations. iteration 1201: trace = 2.451789430384297 (3.11541e-09% change) linmin: converged after 16 iterations. iteration 1202: trace = 2.451789430343207 (1.67593e-09% change) large trace change predicted (5.70647e-09%) linmin: converged after 3 iterations. iteration 1203: trace = 2.451789430203296 (5.70647e-09% change) linmin: converged after 10 iterations. iteration 1204: trace = 2.45178943003939 (6.68515e-09% change) linmin: converged after 26 iterations. iteration 1205: trace = 2.451789429993112 (1.88751e-09% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.451789429904039 (3.63301e-09% change) linmin: converged after 4 iterations. iteration 1207: trace = 2.451789429799053 (4.28201e-09% change) linmin: converged after 6 iterations. iteration 1208: trace = 2.451789429768415 (1.24961e-09% change) large trace change predicted (3.72038e-09%) linmin: converged after 4 iterations. iteration 1209: trace = 2.451789429677195 (3.72054e-09% change) linmin: converged after 3 iterations. iteration 1210: trace = 2.451789429614145 (2.57161e-09% change) linmin: converged after 6 iterations. iteration 1211: trace = 2.451789429592376 (8.87892e-10% change) large trace change predicted (1.93051e-09%) linmin: converged after 3 iterations. iteration 1212: trace = 2.451789429545044 (1.9305e-09% change) linmin: converged after 3 iterations. iteration 1213: trace = 2.451789429484066 (2.48708e-09% change) linmin: converged after 18 iterations. iteration 1214: trace = 2.451789429467976 (6.56247e-10% change) large trace change predicted (1.39452e-09%) linmin: converged after 9 iterations. iteration 1215: trace = 2.451789429433786 (1.39451e-09% change) linmin: converged after 4 iterations. iteration 1216: trace = 2.451789429372346 (2.5059e-09% change) linmin: converged after 15 iterations. iteration 1217: trace = 2.451789429342499 (1.21738e-09% change) large trace change predicted (2.90189e-09%) linmin: converged after 23 iterations. iteration 1218: trace = 2.451789429271349 (2.90193e-09% change) linmin: converged after 6 iterations. iteration 1219: trace = 2.451789429145735 (5.12337e-09% change) linmin: converged after 22 iterations. iteration 1220: trace = 2.451789429103437 (1.72518e-09% change) large trace change predicted (3.68418e-09%) linmin: converged after 3 iterations. iteration 1221: trace = 2.45178942901311 (3.68416e-09% change) linmin: converged after 4 iterations. iteration 1222: trace = 2.451789428837758 (7.15201e-09% change) linmin: converged after 4 iterations. iteration 1223: trace = 2.451789428666694 (6.97707e-09% change) linmin: converged after 19 iterations. iteration 1224: trace = 2.45178942861913 (1.93998e-09% change) large trace change predicted (5.24943e-09%) linmin: converged after 22 iterations. iteration 1225: trace = 2.451789428490425 (5.24943e-09% change) linmin: converged after 4 iterations. iteration 1226: trace = 2.451789428368433 (4.97564e-09% change) linmin: converged after 5 iterations. iteration 1227: trace = 2.451789428312867 (2.26635e-09% change) linmin: converged after 3 iterations. iteration 1228: trace = 2.451789428283175 (1.21103e-09% change) linmin: converged after 2 iterations. iteration 1229: trace = 2.451789428250397 (1.33689e-09% change) linmin: converged after 5 iterations. iteration 1230: trace = 2.451789428227167 (9.47466e-10% change) linmin: converged after 11 iterations. iteration 1231: trace = 2.451789428208507 (7.61102e-10% change) large trace change predicted (2.24613e-09%) linmin: converged after 4 iterations. iteration 1232: trace = 2.451789428153438 (2.24607e-09% change) linmin: converged after 5 iterations. iteration 1233: trace = 2.451789428125475 (1.14049e-09% change) large trace change predicted (2.4434e-09%) linmin: converged after 22 iterations. iteration 1234: trace = 2.451789428065569 (2.44339e-09% change) linmin: converged after 4 iterations. iteration 1235: trace = 2.451789427980279 (3.47868e-09% change) linmin: converged after 4 iterations. iteration 1236: trace = 2.451789427935769 (1.8154e-09% change) large trace change predicted (4.23393e-09%) linmin: converged after 6 iterations. iteration 1237: trace = 2.451789427831962 (4.23394e-09% change) linmin: converged after 4 iterations. iteration 1238: trace = 2.451789427751774 (3.27057e-09% change) linmin: converged after 14 iterations. iteration 1239: trace = 2.451789427707709 (1.79725e-09% change) large trace change predicted (5.76791e-09%) linmin: converged after 6 iterations. iteration 1240: trace = 2.451789427566293 (5.7679e-09% change) linmin: converged after 4 iterations. iteration 1241: trace = 2.451789427459253 (4.36578e-09% change) linmin: converged after 6 iterations. iteration 1242: trace = 2.451789427405467 (2.19374e-09% change) large trace change predicted (5.15432e-09%) linmin: converged after 4 iterations. iteration 1243: trace = 2.451789427279091 (5.15445e-09% change) linmin: converged after 5 iterations. iteration 1244: trace = 2.451789427202338 (3.1305e-09% change) linmin: converged after 4 iterations. iteration 1245: trace = 2.451789427147317 (2.24411e-09% change) linmin: converged after 18 iterations. iteration 1246: trace = 2.451789427122891 (9.96262e-10% change) large trace change predicted (2.80292e-09%) linmin: converged after 3 iterations. iteration 1247: trace = 2.451789427054167 (2.803e-09% change) linmin: converged after 3 iterations. iteration 1248: trace = 2.451789427031227 (9.35656e-10% change) linmin: converged after 3 iterations. iteration 1249: trace = 2.451789426999482 (1.29474e-09% change) linmin: converged after 3 iterations. iteration 1250: trace = 2.451789426948299 (2.08758e-09% change) linmin: converged after 2 iterations. iteration 1251: trace = 2.451789426876981 (2.90883e-09% change) linmin: converged after 17 iterations. iteration 1252: trace = 2.451789426849269 (1.13024e-09% change) large trace change predicted (2.67143e-09%) linmin: converged after 15 iterations. iteration 1253: trace = 2.451789426783769 (2.67154e-09% change) linmin: converged after 2 iterations. iteration 1254: trace = 2.451789426665157 (4.83778e-09% change) linmin: converged after 4 iterations. iteration 1255: trace = 2.451789426624152 (1.67245e-09% change) large trace change predicted (1.11801e-08%) linmin: converged after 5 iterations. iteration 1256: trace = 2.451789426350038 (1.11802e-08% change) linmin: converged after 7 iterations. iteration 1257: trace = 2.451789426211485 (5.65109e-09% change) linmin: converged after 24 iterations. iteration 1258: trace = 2.451789426042881 (6.87677e-09% change) large trace change predicted (2.39587e-08%) linmin: converged after 6 iterations. iteration 1259: trace = 2.451789425455459 (2.39589e-08% change) resetting CG direction... linmin: converged after 19 iterations. iteration 1260: trace = 2.45178942507656 (1.54539e-08% change) linmin: converged after 21 iterations. iteration 1261: trace = 2.451789425021766 (2.23489e-09% change) large trace change predicted (6.69698e-09%) linmin: converged after 4 iterations. iteration 1262: trace = 2.45178942485757 (6.69698e-09% change) linmin: converged after 6 iterations. iteration 1263: trace = 2.451789424757539 (4.07992e-09% change) linmin: converged after 5 iterations. iteration 1264: trace = 2.451789424704454 (2.16512e-09% change) large trace change predicted (5.56089e-09%) linmin: converged after 21 iterations. iteration 1265: trace = 2.451789424568113 (5.5609e-09% change) linmin: converged after 4 iterations. iteration 1266: trace = 2.45178942450472 (2.58559e-09% change) linmin: converged after 4 iterations. iteration 1267: trace = 2.451789424485447 (7.86044e-10% change) large trace change predicted (1.63933e-09%) linmin: converged after 8 iterations. iteration 1268: trace = 2.451789424445252 (1.63943e-09% change) linmin: converged after 3 iterations. iteration 1269: trace = 2.451789424424118 (8.61973e-10% change) linmin: converged after 13 iterations. iteration 1270: trace = 2.451789424411265 (5.24222e-10% change) linmin: converged after 3 iterations. iteration 1271: trace = 2.451789424387885 (9.53588e-10% change) linmin: converged after 3 iterations. iteration 1272: trace = 2.45178942437819 (3.9544e-10% change) large trace change predicted (8.17483e-10%) linmin: converged after 4 iterations. iteration 1273: trace = 2.451789424358147 (8.17488e-10% change) linmin: converged after 5 iterations. iteration 1274: trace = 2.451789424329405 (1.1723e-09% change) linmin: converged after 7 iterations. iteration 1275: trace = 2.451789424313727 (6.39456e-10% change) linmin: converged after 6 iterations. iteration 1276: trace = 2.451789424286628 (1.10525e-09% change) large trace change predicted (2.21575e-09%) linmin: converged after 13 iterations. iteration 1277: trace = 2.451789424232304 (2.21571e-09% change) linmin: converged after 4 iterations. iteration 1278: trace = 2.451789424220836 (4.67728e-10% change) large trace change predicted (2.04214e-09%) linmin: converged after 3 iterations. iteration 1279: trace = 2.451789424170772 (2.04195e-09% change) linmin: converged after 4 iterations. iteration 1280: trace = 2.451789424129205 (1.69536e-09% change) linmin: converged after 22 iterations. iteration 1281: trace = 2.451789424094021 (1.43503e-09% change) linmin: converged after 21 iterations. iteration 1282: trace = 2.451789424059021 (1.42753e-09% change) linmin: converged after 26 iterations. iteration 1283: trace = 2.451789424009311 (2.0275e-09% change) linmin: converged after 15 iterations. iteration 1284: trace = 2.451789423987749 (8.79452e-10% change) linmin: converged after 4 iterations. iteration 1285: trace = 2.451789423970245 (7.139e-10% change) linmin: converged after 16 iterations. iteration 1286: trace = 2.451789423944478 (1.05098e-09% change) linmin: converged after 4 iterations. iteration 1287: trace = 2.451789423926535 (7.31796e-10% change) linmin: converged after 18 iterations. iteration 1288: trace = 2.451789423919614 (2.82289e-10% change) linmin: converged after 3 iterations. iteration 1289: trace = 2.451789423912408 (2.93936e-10% change) large trace change predicted (5.91885e-10%) linmin: converged after 15 iterations. iteration 1290: trace = 2.451789423897895 (5.9191e-10% change) linmin: converged after 19 iterations. iteration 1291: trace = 2.451789423884404 (5.50251e-10% change) linmin: converged after 4 iterations. iteration 1292: trace = 2.451789423878424 (2.43926e-10% change) large trace change predicted (8.52576e-10%) linmin: converged after 5 iterations. iteration 1293: trace = 2.45178942385752 (8.52572e-10% change) linmin: converged after 18 iterations. iteration 1294: trace = 2.451789423840103 (7.10405e-10% change) linmin: converged after 19 iterations. iteration 1295: trace = 2.451789423822339 (7.24514e-10% change) large trace change predicted (2.05367e-09%) linmin: converged after 4 iterations. iteration 1296: trace = 2.451789423771987 (2.05369e-09% change) linmin: converged after 6 iterations. iteration 1297: trace = 2.451789423714079 (2.36188e-09% change) linmin: converged after 17 iterations. iteration 1298: trace = 2.451789423696915 (7.00044e-10% change) linmin: converged after 18 iterations. iteration 1299: trace = 2.45178942366538 (1.28621e-09% change) linmin: converged after 11 iterations. iteration 1300: trace = 2.451789423642097 (9.49639e-10% change) linmin: converged after 3 iterations. iteration 1301: trace = 2.451789423626481 (6.36903e-10% change) linmin: converged after 4 iterations. iteration 1302: trace = 2.451789423606598 (8.10985e-10% change) linmin: converged after 3 iterations. iteration 1303: trace = 2.451789423593969 (5.15094e-10% change) linmin: converged after 3 iterations. iteration 1304: trace = 2.451789423590365 (1.46968e-10% change) large trace change predicted (6.26993e-10%) linmin: converged after 7 iterations. iteration 1305: trace = 2.451789423574994 (6.26959e-10% change) linmin: converged after 6 iterations. iteration 1306: trace = 2.451789423568964 (2.45918e-10% change) linmin: converged after 3 iterations. iteration 1307: trace = 2.451789423559775 (3.74791e-10% change) linmin: converged after 15 iterations. iteration 1308: trace = 2.451789423549317 (4.2654e-10% change) linmin: converged after 19 iterations. iteration 1309: trace = 2.451789423538969 (4.22066e-10% change) linmin: converged after 3 iterations. iteration 1310: trace = 2.451789423531195 (3.17084e-10% change) linmin: converged after 4 iterations. iteration 1311: trace = 2.451789423517451 (5.60557e-10% change) linmin: converged after 5 iterations. iteration 1312: trace = 2.451789423498004 (7.9318e-10% change) linmin: converged after 9 iterations. iteration 1313: trace = 2.451789423492709 (2.1596e-10% change) large trace change predicted (8.6862e-10%) linmin: converged after 4 iterations. iteration 1314: trace = 2.451789423471415 (8.68512e-10% change) linmin: converged after 21 iterations. iteration 1315: trace = 2.451789423446224 (1.02747e-09% change) linmin: converged after 4 iterations. iteration 1316: trace = 2.451789423436086 (4.13499e-10% change) large trace change predicted (1.18919e-09%) linmin: converged after 4 iterations. iteration 1317: trace = 2.451789423406931 (1.18911e-09% change) linmin: converged after 18 iterations. iteration 1318: trace = 2.451789423390643 (6.64344e-10% change) linmin: converged after 7 iterations. iteration 1319: trace = 2.451789423383456 (2.9312e-10% change) large trace change predicted (8.07982e-10%) linmin: converged after 7 iterations. iteration 1320: trace = 2.451789423363644 (8.08051e-10% change) linmin: converged after 3 iterations. iteration 1321: trace = 2.451789423349546 (5.75011e-10% change) linmin: converged after 3 iterations. iteration 1322: trace = 2.451789423341455 (3.30016e-10% change) linmin: converged after 7 iterations. iteration 1323: trace = 2.451789423338237 (1.31264e-10% change) large trace change predicted (4.47132e-10%) linmin: converged after 4 iterations. iteration 1324: trace = 2.451789423327273 (4.47152e-10% change) linmin: converged after 3 iterations. iteration 1325: trace = 2.451789423316764 (4.28659e-10% change) linmin: converged after 3 iterations. iteration 1326: trace = 2.451789423314419 (9.56178e-11% change) Finished solving for bands 1 to 10 after 1326 iterations. tmfreqs:, 3, 0.333333, 0, 0, 0.333333, 0.194655, 0.331458, 0.361679, 0.377947, 0.502693, 0.506755, 0.527227, 0.633335, 0.644215, 0.653287 elapsed time for k point: 28.35464358329773 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.52883645800252 (1.93408% change) linmin: converged after 4 iterations. iteration 2: trace = 2.510710937279924 (0.719331% change) linmin: converged after 4 iterations. iteration 3: trace = 2.494945600829437 (0.629901% change) linmin: converged after 4 iterations. iteration 4: trace = 2.49143375561429 (0.140858% change) large trace change predicted (0.375525%) linmin: converged after 5 iterations. iteration 5: trace = 2.481386360847547 (0.404092% change) linmin: converged after 4 iterations. iteration 6: trace = 2.47882184604524 (0.103404% change) linmin: converged after 4 iterations. iteration 7: trace = 2.475784271623927 (0.122616% change) linmin: converged after 4 iterations. iteration 8: trace = 2.473421709906872 (0.0954724% change) linmin: converged after 4 iterations. iteration 9: trace = 2.472471714063297 (0.0384155% change) linmin: converged after 4 iterations. iteration 10: trace = 2.471069257337406 (0.056739% change) linmin: converged after 4 iterations. iteration 11: trace = 2.470689497357675 (0.0153694% change) large trace change predicted (0.0415688%) linmin: converged after 4 iterations. iteration 12: trace = 2.469653474640538 (0.0419413% change) linmin: converged after 4 iterations. iteration 13: trace = 2.469044245573541 (0.0246716% change) linmin: converged after 3 iterations. iteration 14: trace = 2.468577612935563 (0.0189011% change) linmin: converged after 4 iterations. iteration 15: trace = 2.467728826484377 (0.0343895% change) linmin: converged after 3 iterations. iteration 16: trace = 2.46745313861201 (0.0111723% change) large trace change predicted (0.0408243%) linmin: converged after 4 iterations. iteration 17: trace = 2.466432345380122 (0.0413789% change) linmin: converged after 4 iterations. iteration 18: trace = 2.466143903516121 (0.0116954% change) linmin: converged after 4 iterations. iteration 19: trace = 2.465689915242905 (0.0184105% change) linmin: converged after 4 iterations. iteration 20: trace = 2.465064748634143 (0.0253578% change) linmin: converged after 3 iterations. iteration 21: trace = 2.46484420564416 (0.00894714% change) large trace change predicted (0.0298113%) linmin: converged after 5 iterations. iteration 22: trace = 2.464107198033603 (0.0299052% change) linmin: converged after 3 iterations. iteration 23: trace = 2.463924920614379 (0.00739757% change) large trace change predicted (0.020507%) linmin: converged after 3 iterations. iteration 24: trace = 2.463417772346605 (0.0205851% change) linmin: converged after 4 iterations. iteration 25: trace = 2.462917993360481 (0.0202901% change) linmin: converged after 3 iterations. iteration 26: trace = 2.46269287321345 (0.0091408% change) large trace change predicted (0.0279878%) linmin: converged after 4 iterations. iteration 27: trace = 2.462009481947335 (0.0277536% change) linmin: converged after 4 iterations. iteration 28: trace = 2.461750512799829 (0.0105192% change) large trace change predicted (0.0224547%) linmin: converged after 4 iterations. iteration 29: trace = 2.461203522520397 (0.022222% change) linmin: converged after 4 iterations. iteration 30: trace = 2.460687302212606 (0.0209765% change) linmin: converged after 3 iterations. iteration 31: trace = 2.460472033014784 (0.00874872% change) large trace change predicted (0.0259481%) linmin: converged after 4 iterations. iteration 32: trace = 2.459845095197693 (0.0254836% change) linmin: converged after 4 iterations. iteration 33: trace = 2.459427706898148 (0.0169695% change) linmin: converged after 4 iterations. iteration 34: trace = 2.459157555283224 (0.0109849% change) large trace change predicted (0.0241645%) linmin: converged after 5 iterations. iteration 35: trace = 2.458586842979624 (0.0232103% change) linmin: converged after 4 iterations. iteration 36: trace = 2.458222290448034 (0.0148288% change) linmin: converged after 4 iterations. iteration 37: trace = 2.457860185687297 (0.0147314% change) linmin: converged after 5 iterations. iteration 38: trace = 2.457513865405402 (0.0140913% change) linmin: converged after 5 iterations. iteration 39: trace = 2.457345624105 (0.00684623% change) linmin: converged after 6 iterations. iteration 40: trace = 2.457030438710308 (0.0128271% change) linmin: converged after 4 iterations. iteration 41: trace = 2.45693726482228 (0.00379221% change) linmin: converged after 4 iterations. iteration 42: trace = 2.456770906518473 (0.00677119% change) linmin: converged after 4 iterations. iteration 43: trace = 2.456644958824391 (0.00512669% change) linmin: converged after 4 iterations. iteration 44: trace = 2.456575002819543 (0.00284766% change) large trace change predicted (0.00678918%) linmin: converged after 4 iterations. iteration 45: trace = 2.456409987503163 (0.00671752% change) linmin: converged after 4 iterations. iteration 46: trace = 2.456322427639459 (0.00356461% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456238103673518 (0.00343299% change) linmin: converged after 5 iterations. iteration 48: trace = 2.456190589524253 (0.00193445% change) large trace change predicted (0.00555259%) linmin: converged after 4 iterations. iteration 49: trace = 2.456054470226402 (0.00554204% change) linmin: converged after 4 iterations. iteration 50: trace = 2.456008571428098 (0.00186882% change) large trace change predicted (0.00438773%) linmin: converged after 4 iterations. iteration 51: trace = 2.455900628829891 (0.00439514% change) linmin: converged after 3 iterations. iteration 52: trace = 2.455832367342328 (0.00277953% change) linmin: converged after 3 iterations. iteration 53: trace = 2.455712504314565 (0.00488087% change) linmin: converged after 3 iterations. iteration 54: trace = 2.455665161458072 (0.00192788% change) large trace change predicted (0.00469251%) linmin: converged after 4 iterations. iteration 55: trace = 2.45554940049293 (0.00471415% change) linmin: converged after 3 iterations. iteration 56: trace = 2.455472886170553 (0.00311602% change) linmin: converged after 3 iterations. iteration 57: trace = 2.45535540105125 (0.00478474% change) linmin: converged after 6 iterations. iteration 58: trace = 2.455240478075935 (0.00468061% change) linmin: converged after 3 iterations. iteration 59: trace = 2.455056804159374 (0.00748117% change) linmin: converged after 3 iterations. iteration 60: trace = 2.454879000015707 (0.00724263% change) linmin: converged after 3 iterations. iteration 61: trace = 2.454746794533805 (0.00538556% change) linmin: converged after 4 iterations. iteration 62: trace = 2.454558821016205 (0.00765785% change) linmin: converged after 4 iterations. iteration 63: trace = 2.454456326046082 (0.00417579% change) large trace change predicted (0.00930659%) linmin: converged after 3 iterations. iteration 64: trace = 2.45422615908869 (0.00937795% change) linmin: converged after 3 iterations. iteration 65: trace = 2.454125098795967 (0.00411789% change) linmin: converged after 3 iterations. iteration 66: trace = 2.453938060466973 (0.00762168% change) linmin: converged after 4 iterations. iteration 67: trace = 2.453809021096222 (0.0052586% change) linmin: converged after 3 iterations. iteration 68: trace = 2.453622866453467 (0.00758664% change) linmin: converged after 3 iterations. iteration 69: trace = 2.453502394658977 (0.00491008% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 2.45344313712005 (0.00241525% change) large trace change predicted (0.00624597%) linmin: converged after 3 iterations. iteration 71: trace = 2.453289963470843 (0.00624341% change) linmin: converged after 4 iterations. iteration 72: trace = 2.453139719947128 (0.00612435% change) linmin: converged after 3 iterations. iteration 73: trace = 2.453047703426544 (0.00375104% change) large trace change predicted (0.00966959%) linmin: converged after 4 iterations. iteration 74: trace = 2.452811230628114 (0.00964042% change) linmin: converged after 3 iterations. iteration 75: trace = 2.452613649770091 (0.00805561% change) linmin: converged after 5 iterations. iteration 76: trace = 2.452556615684974 (0.00232547% change) large trace change predicted (0.00551951%) linmin: converged after 4 iterations. iteration 77: trace = 2.452421858190548 (0.00549472% change) linmin: converged after 4 iterations. iteration 78: trace = 2.452338268199087 (0.00340853% change) linmin: converged after 3 iterations. iteration 79: trace = 2.452304629861172 (0.00137169% change) large trace change predicted (0.00452333%) linmin: converged after 4 iterations. iteration 80: trace = 2.452193808458145 (0.00451917% change) linmin: converged after 10 iterations. iteration 81: trace = 2.452083692322509 (0.00449062% change) linmin: converged after 4 iterations. iteration 82: trace = 2.452050147614097 (0.00136802% change) large trace change predicted (0.00425885%) linmin: converged after 11 iterations. iteration 83: trace = 2.451945376724331 (0.00427288% change) linmin: converged after 4 iterations. iteration 84: trace = 2.451876285141428 (0.00281787% change) linmin: converged after 3 iterations. iteration 85: trace = 2.45183892672225 (0.00152368% change) large trace change predicted (0.00517269%) linmin: converged after 3 iterations. iteration 86: trace = 2.451711526387598 (0.00519625% change) linmin: converged after 3 iterations. iteration 87: trace = 2.451670690781039 (0.00166561% change) linmin: converged after 3 iterations. iteration 88: trace = 2.451615620393333 (0.00224626% change) linmin: converged after 3 iterations. iteration 89: trace = 2.451565718287798 (0.0020355% change) linmin: converged after 5 iterations. iteration 90: trace = 2.451543111895823 (0.000922125% change) large trace change predicted (0.00192476%) linmin: converged after 3 iterations. iteration 91: trace = 2.451495823747859 (0.00192893% change) linmin: converged after 3 iterations. iteration 92: trace = 2.451437701790583 (0.00237091% change) linmin: converged after 3 iterations. iteration 93: trace = 2.451416757849664 (0.000854357% change) linmin: converged after 4 iterations. iteration 94: trace = 2.451379991205549 (0.00149982% change) linmin: converged after 4 iterations. iteration 95: trace = 2.451331125091194 (0.00199343% change) linmin: converged after 4 iterations. iteration 96: trace = 2.451320303293341 (0.000441467% change) large trace change predicted (0.00157823%) linmin: converged after 3 iterations. iteration 97: trace = 2.451281502115531 (0.00158288% change) linmin: converged after 3 iterations. iteration 98: trace = 2.451252155782051 (0.00119719% change) linmin: converged after 3 iterations. iteration 99: trace = 2.451242666666041 (0.000387114% change) large trace change predicted (0.00130267%) linmin: converged after 3 iterations. iteration 100: trace = 2.451210716615728 (0.00130343% change) linmin: converged after 5 iterations. iteration 101: trace = 2.451185476369179 (0.00102971% change) linmin: converged after 3 iterations. iteration 102: trace = 2.451169761700174 (0.000641107% change) large trace change predicted (0.00233916%) linmin: converged after 5 iterations. iteration 103: trace = 2.451112466539395 (0.00233749% change) linmin: converged after 4 iterations. iteration 104: trace = 2.451069898079106 (0.00173671% change) linmin: converged after 3 iterations. iteration 105: trace = 2.45101445519289 (0.00226201% change) linmin: converged after 4 iterations. iteration 106: trace = 2.450936455456781 (0.0031824% change) linmin: converged after 3 iterations. iteration 107: trace = 2.450891717657053 (0.00182535% change) linmin: converged after 4 iterations. iteration 108: trace = 2.450830669668711 (0.00249088% change) linmin: converged after 4 iterations. iteration 109: trace = 2.450789848226493 (0.00166563% change) linmin: converged after 6 iterations. iteration 110: trace = 2.450776920874538 (0.000527478% change) large trace change predicted (0.00118471%) linmin: converged after 3 iterations. iteration 111: trace = 2.450747880572678 (0.00118495% change) linmin: converged after 3 iterations. iteration 112: trace = 2.45070873044314 (0.00159749% change) linmin: converged after 3 iterations. iteration 113: trace = 2.450695909315984 (0.000523161% change) large trace change predicted (0.00227196%) linmin: converged after 3 iterations. iteration 114: trace = 2.450640159611767 (0.00227488% change) linmin: converged after 3 iterations. iteration 115: trace = 2.450616985680848 (0.000945632% change) linmin: converged after 6 iterations. iteration 116: trace = 2.450596977870118 (0.000816443% change) linmin: converged after 4 iterations. iteration 117: trace = 2.45056778083996 (0.00119143% change) linmin: converged after 5 iterations. iteration 118: trace = 2.450560119676275 (0.000312629% change) linmin: converged after 3 iterations. iteration 119: trace = 2.450544795757416 (0.000625325% change) linmin: converged after 4 iterations. iteration 120: trace = 2.450518219524359 (0.00108451% change) linmin: converged after 3 iterations. iteration 121: trace = 2.450508213617659 (0.000408319% change) large trace change predicted (0.00138738%) linmin: converged after 4 iterations. iteration 122: trace = 2.450474243624242 (0.00138625% change) linmin: converged after 5 iterations. iteration 123: trace = 2.450413558661106 (0.00247649% change) linmin: converged after 4 iterations. iteration 124: trace = 2.45039992161049 (0.000556522% change) large trace change predicted (0.00263893%) linmin: converged after 3 iterations. iteration 125: trace = 2.450335390365045 (0.00263353% change) linmin: converged after 6 iterations. iteration 126: trace = 2.450316328678591 (0.000777925% change) large trace change predicted (0.00253338%) linmin: converged after 10 iterations. iteration 127: trace = 2.450254312061537 (0.002531% change) linmin: converged after 3 iterations. iteration 128: trace = 2.450208267617169 (0.00187919% change) linmin: converged after 3 iterations. iteration 129: trace = 2.45019001665005 (0.000744877% change) large trace change predicted (0.00218072%) linmin: converged after 4 iterations. iteration 130: trace = 2.45013667318574 (0.00217714% change) linmin: converged after 3 iterations. iteration 131: trace = 2.450076608488931 (0.00245151% change) linmin: converged after 7 iterations. iteration 132: trace = 2.450058895028703 (0.000722978% change) linmin: converged after 3 iterations. iteration 133: trace = 2.450024420912197 (0.00140708% change) linmin: converged after 4 iterations. iteration 134: trace = 2.449978628847813 (0.00186906% change) linmin: converged after 5 iterations. iteration 135: trace = 2.449968905978002 (0.000396856% change) large trace change predicted (0.00120638%) linmin: converged after 5 iterations. iteration 136: trace = 2.449939343958822 (0.00120664% change) linmin: converged after 4 iterations. iteration 137: trace = 2.449919754284547 (0.000799602% change) linmin: converged after 8 iterations. iteration 138: trace = 2.44991298717092 (0.000276218% change) linmin: converged after 3 iterations. iteration 139: trace = 2.4499006587137 (0.000503221% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.449894968464737 (0.000232265% change) linmin: converged after 3 iterations. iteration 141: trace = 2.449892337954783 (0.000107372% change) large trace change predicted (0.000347775%) linmin: converged after 3 iterations. iteration 142: trace = 2.449883817030964 (0.000347809% change) linmin: converged after 3 iterations. iteration 143: trace = 2.449876817673927 (0.000285702% change) linmin: converged after 5 iterations. iteration 144: trace = 2.44987216394264 (0.000189958% change) large trace change predicted (0.000699858%) linmin: converged after 4 iterations. iteration 145: trace = 2.449854989905724 (0.00070102% change) linmin: converged after 3 iterations. iteration 146: trace = 2.449848416615118 (0.000268314% change) linmin: converged after 3 iterations. iteration 147: trace = 2.449839837944405 (0.000350172% change) linmin: converged after 3 iterations. iteration 148: trace = 2.449826794642758 (0.000532416% change) linmin: converged after 3 iterations. iteration 149: trace = 2.449820135780501 (0.00027181% change) linmin: converged after 3 iterations. iteration 150: trace = 2.449813639577305 (0.000265171% change) linmin: converged after 3 iterations. iteration 151: trace = 2.449804712591688 (0.000364395% change) linmin: converged after 3 iterations. iteration 152: trace = 2.4497977557308 (0.000283977% change) linmin: converged after 3 iterations. iteration 153: trace = 2.449789832673444 (0.000323417% change) linmin: converged after 3 iterations. iteration 154: trace = 2.449775155884057 (0.000599106% change) linmin: converged after 4 iterations. iteration 155: trace = 2.449771153986039 (0.000163358% change) large trace change predicted (0.00043377%) linmin: converged after 9 iterations. iteration 156: trace = 2.449760527669044 (0.000433769% change) linmin: converged after 4 iterations. iteration 157: trace = 2.449754566554295 (0.000243335% change) linmin: converged after 3 iterations. iteration 158: trace = 2.449751874136928 (0.000109906% change) linmin: converged after 3 iterations. iteration 159: trace = 2.449748032359977 (0.000156823% change) linmin: converged after 3 iterations. iteration 160: trace = 2.449743977026803 (0.000165541% change) linmin: converged after 4 iterations. iteration 161: trace = 2.449742787761045 (4.85465e-05% change) large trace change predicted (0.000192314%) linmin: converged after 5 iterations. iteration 162: trace = 2.449738076272222 (0.000192326% change) linmin: converged after 3 iterations. iteration 163: trace = 2.449731673507155 (0.000261366% change) linmin: converged after 4 iterations. iteration 164: trace = 2.449729634259491 (8.32438e-05% change) large trace change predicted (0.000359138%) linmin: converged after 3 iterations. iteration 165: trace = 2.449720830354008 (0.000359383% change) linmin: converged after 3 iterations. iteration 166: trace = 2.449714030560231 (0.000277575% change) linmin: converged after 5 iterations. iteration 167: trace = 2.449711736914703 (9.36292e-05% change) large trace change predicted (0.00027622%) linmin: converged after 4 iterations. iteration 168: trace = 2.449704967737447 (0.000276326% change) linmin: converged after 3 iterations. iteration 169: trace = 2.449697466612399 (0.000306206% change) linmin: converged after 3 iterations. iteration 170: trace = 2.449695281898154 (8.91831e-05% change) large trace change predicted (0.000348534%) linmin: converged after 3 iterations. iteration 171: trace = 2.449686734240722 (0.000348928% change) linmin: converged after 4 iterations. iteration 172: trace = 2.449677890643442 (0.00036101% change) linmin: converged after 4 iterations. iteration 173: trace = 2.449674510634968 (0.000137978% change) large trace change predicted (0.000280304%) linmin: converged after 3 iterations. iteration 174: trace = 2.449667637621107 (0.000280569% change) linmin: converged after 4 iterations. iteration 175: trace = 2.44965994671921 (0.000313957% change) linmin: converged after 3 iterations. iteration 176: trace = 2.449657822569483 (8.67121e-05% change) large trace change predicted (0.00023748%) linmin: converged after 3 iterations. iteration 177: trace = 2.449652005490412 (0.000237465% change) linmin: converged after 4 iterations. iteration 178: trace = 2.449647882666504 (0.000168303% change) linmin: converged after 3 iterations. iteration 179: trace = 2.449645889725849 (8.13562e-05% change) large trace change predicted (0.000190314%) linmin: converged after 4 iterations. iteration 180: trace = 2.449641229723576 (0.000190232% change) linmin: converged after 4 iterations. iteration 181: trace = 2.449636714194806 (0.000184334% change) linmin: converged after 3 iterations. iteration 182: trace = 2.449634496163311 (9.05454e-05% change) large trace change predicted (0.000269532%) linmin: converged after 4 iterations. iteration 183: trace = 2.449627910830168 (0.00026883% change) linmin: converged after 15 iterations. iteration 184: trace = 2.449623689267555 (0.000172335% change) linmin: converged after 4 iterations. iteration 185: trace = 2.449620090273294 (0.00014692% change) large trace change predicted (0.000335891%) linmin: converged after 6 iterations. iteration 186: trace = 2.449611879268361 (0.000335196% change) linmin: converged after 6 iterations. iteration 187: trace = 2.449608136282674 (0.000152799% change) linmin: converged after 3 iterations. iteration 188: trace = 2.449605503911379 (0.000107461% change) large trace change predicted (0.000303764%) linmin: converged after 6 iterations. iteration 189: trace = 2.449598068123636 (0.000303551% change) linmin: converged after 5 iterations. iteration 190: trace = 2.449593456179151 (0.000188274% change) linmin: converged after 14 iterations. iteration 191: trace = 2.449588393990392 (0.000206654% change) large trace change predicted (0.000567663%) linmin: converged after 3 iterations. iteration 192: trace = 2.449574484482215 (0.000567832% change) linmin: converged after 3 iterations. iteration 193: trace = 2.449571493236652 (0.000122113% change) large trace change predicted (0.00045982%) linmin: converged after 4 iterations. iteration 194: trace = 2.449560214802394 (0.000460426% change) linmin: converged after 10 iterations. iteration 195: trace = 2.449553289614395 (0.000282712% change) linmin: converged after 3 iterations. iteration 196: trace = 2.449550587328911 (0.000110318% change) linmin: converged after 4 iterations. iteration 197: trace = 2.449545987315743 (0.00018779% change) linmin: converged after 4 iterations. iteration 198: trace = 2.449540221103766 (0.000235399% change) linmin: converged after 3 iterations. iteration 199: trace = 2.449538485198694 (7.08666e-05% change) large trace change predicted (0.000255142%) linmin: converged after 8 iterations. iteration 200: trace = 2.449532228571067 (0.000255421% change) linmin: converged after 3 iterations. iteration 201: trace = 2.449527906079239 (0.000176462% change) linmin: converged after 4 iterations. iteration 202: trace = 2.44952445449821 (0.000140908% change) large trace change predicted (0.000358669%) linmin: converged after 3 iterations. iteration 203: trace = 2.449515662396394 (0.000358932% change) linmin: converged after 3 iterations. iteration 204: trace = 2.449504875873395 (0.000440354% change) linmin: converged after 3 iterations. iteration 205: trace = 2.449500156358176 (0.000192672% change) linmin: converged after 4 iterations. iteration 206: trace = 2.449492662281754 (0.000305944% change) linmin: converged after 3 iterations. iteration 207: trace = 2.449485112651023 (0.000308212% change) linmin: converged after 5 iterations. iteration 208: trace = 2.449478085449508 (0.000286885% change) large trace change predicted (0.000695722%) linmin: converged after 4 iterations. iteration 209: trace = 2.449461046927603 (0.0006956% change) resetting CG direction... linmin: converged after 5 iterations. iteration 210: trace = 2.44945793868147 (0.000126895% change) linmin: converged after 3 iterations. iteration 211: trace = 2.449453754273231 (0.00017083% change) linmin: converged after 3 iterations. iteration 212: trace = 2.449448021011066 (0.000234063% change) linmin: converged after 3 iterations. iteration 213: trace = 2.449446170709254 (7.55396e-05% change) large trace change predicted (0.000170653%) linmin: converged after 3 iterations. iteration 214: trace = 2.449441991236921 (0.000170629% change) linmin: converged after 4 iterations. iteration 215: trace = 2.449437042317213 (0.000202043% change) linmin: converged after 7 iterations. iteration 216: trace = 2.449435874448881 (4.76791e-05% change) large trace change predicted (0.000117713%) linmin: converged after 3 iterations. iteration 217: trace = 2.449432991554159 (0.000117696% change) linmin: converged after 3 iterations. iteration 218: trace = 2.449431414228247 (6.43956e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.449430744111153 (2.73581e-05% change) large trace change predicted (8.12683e-05%) linmin: converged after 3 iterations. iteration 220: trace = 2.449428753972359 (8.12491e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.449426986522941 (7.21576e-05% change) linmin: converged after 5 iterations. iteration 222: trace = 2.449426150492441 (3.41317e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.449424516714695 (6.67005e-05% change) linmin: converged after 6 iterations. iteration 224: trace = 2.449422364364996 (8.78717e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.449421353570404 (4.12667e-05% change) large trace change predicted (0.000126855%) linmin: converged after 4 iterations. iteration 226: trace = 2.449418247081776 (0.000126825% change) linmin: converged after 4 iterations. iteration 227: trace = 2.449416311708368 (7.90136e-05% change) linmin: converged after 4 iterations. iteration 228: trace = 2.449415206692803 (4.51134e-05% change) large trace change predicted (0.000128017%) linmin: converged after 3 iterations. iteration 229: trace = 2.449412069908573 (0.000128063% change) linmin: converged after 4 iterations. iteration 230: trace = 2.449410425025556 (6.71542e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.44940853351535 (7.72231e-05% change) linmin: converged after 4 iterations. iteration 232: trace = 2.449406551626386 (8.0913e-05% change) linmin: converged after 4 iterations. iteration 233: trace = 2.449405682258215 (3.5493e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.449404274896136 (5.74573e-05% change) linmin: converged after 3 iterations. iteration 235: trace = 2.449402263599977 (8.21137e-05% change) linmin: converged after 4 iterations. iteration 236: trace = 2.449401343374054 (3.75694e-05% change) linmin: converged after 3 iterations. iteration 237: trace = 2.44939969247896 (6.74e-05% change) linmin: converged after 4 iterations. iteration 238: trace = 2.449398518758281 (4.79187e-05% change) linmin: converged after 3 iterations. iteration 239: trace = 2.449397631541603 (3.62218e-05% change) linmin: converged after 4 iterations. iteration 240: trace = 2.449397104452767 (2.15191e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.449396110412767 (4.05831e-05% change) linmin: converged after 3 iterations. iteration 242: trace = 2.449395802293588 (1.25794e-05% change) large trace change predicted (4.11766e-05%) linmin: converged after 6 iterations. iteration 243: trace = 2.449394793667253 (4.11786e-05% change) linmin: converged after 4 iterations. iteration 244: trace = 2.44939379320803 (4.08452e-05% change) linmin: converged after 3 iterations. iteration 245: trace = 2.449393211835142 (2.37354e-05% change) large trace change predicted (6.07119e-05%) linmin: converged after 3 iterations. iteration 246: trace = 2.449391724856755 (6.0708e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 2.449389747176247 (8.07417e-05% change) linmin: converged after 3 iterations. iteration 248: trace = 2.449389314593131 (1.76609e-05% change) large trace change predicted (5.34083e-05%) linmin: converged after 8 iterations. iteration 249: trace = 2.449388006559206 (5.34025e-05% change) linmin: converged after 4 iterations. iteration 250: trace = 2.449386883757627 (4.58401e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 2.44938645583475 (1.74706e-05% change) large trace change predicted (8.34027e-05%) linmin: converged after 4 iterations. iteration 252: trace = 2.449384414150498 (8.3355e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 2.449383269154725 (4.67463e-05% change) linmin: converged after 3 iterations. iteration 254: trace = 2.449382663677883 (2.47196e-05% change) linmin: converged after 5 iterations. iteration 255: trace = 2.449381769748132 (3.64961e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.449380958147287 (3.31349e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.449380221361443 (3.00805e-05% change) linmin: converged after 3 iterations. iteration 258: trace = 2.449379178683411 (4.25691e-05% change) linmin: converged after 4 iterations. iteration 259: trace = 2.449378764932756 (1.68921e-05% change) large trace change predicted (3.81585e-05%) linmin: converged after 3 iterations. iteration 260: trace = 2.449377830395795 (3.8154e-05% change) linmin: converged after 3 iterations. iteration 261: trace = 2.44937702469216 (3.28942e-05% change) linmin: converged after 13 iterations. iteration 262: trace = 2.449376233812107 (3.2289e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.449375531301935 (2.86812e-05% change) large trace change predicted (6.34751e-05%) linmin: converged after 3 iterations. iteration 264: trace = 2.449373977034382 (6.34557e-05% change) linmin: converged after 4 iterations. iteration 265: trace = 2.44937330763968 (2.73292e-05% change) large trace change predicted (5.53096e-05%) linmin: converged after 4 iterations. iteration 266: trace = 2.449371953095597 (5.53017e-05% change) linmin: converged after 11 iterations. iteration 267: trace = 2.449369854863311 (8.56641e-05% change) linmin: converged after 7 iterations. iteration 268: trace = 2.449369451908522 (1.64514e-05% change) large trace change predicted (6.31575e-05%) linmin: converged after 14 iterations. iteration 269: trace = 2.449367905905747 (6.31184e-05% change) linmin: converged after 3 iterations. iteration 270: trace = 2.449366899612653 (4.10838e-05% change) linmin: converged after 4 iterations. iteration 271: trace = 2.449366543340908 (1.45455e-05% change) large trace change predicted (3.22076e-05%) linmin: converged after 5 iterations. iteration 272: trace = 2.449365754242165 (3.22164e-05% change) linmin: converged after 4 iterations. iteration 273: trace = 2.44936456200137 (4.86755e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.449364204633651 (1.45902e-05% change) large trace change predicted (5.41093e-05%) linmin: converged after 4 iterations. iteration 275: trace = 2.449362879241699 (5.41117e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.449361967591748 (3.72199e-05% change) linmin: converged after 4 iterations. iteration 277: trace = 2.449361730811736 (9.66701e-06% change) large trace change predicted (3.14188e-05%) linmin: converged after 3 iterations. iteration 278: trace = 2.449360961222469 (3.142e-05% change) linmin: converged after 3 iterations. iteration 279: trace = 2.449360473409283 (1.99159e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 280: trace = 2.44936034356497 (5.30115e-06% change) large trace change predicted (1.13885e-05%) linmin: converged after 3 iterations. iteration 281: trace = 2.449360064609527 (1.13889e-05% change) linmin: converged after 4 iterations. iteration 282: trace = 2.449359719533546 (1.40884e-05% change) linmin: converged after 4 iterations. iteration 283: trace = 2.449359450394801 (1.09881e-05% change) large trace change predicted (2.91677e-05%) linmin: converged after 3 iterations. iteration 284: trace = 2.449358735863504 (2.91722e-05% change) linmin: converged after 4 iterations. iteration 285: trace = 2.449357770831591 (3.93994e-05% change) linmin: converged after 5 iterations. iteration 286: trace = 2.449357427611918 (1.40126e-05% change) large trace change predicted (3.96104e-05%) linmin: converged after 3 iterations. iteration 287: trace = 2.449356457254169 (3.96168e-05% change) linmin: converged after 3 iterations. iteration 288: trace = 2.449356119972051 (1.37702e-05% change) linmin: converged after 3 iterations. iteration 289: trace = 2.449355786230254 (1.36257e-05% change) large trace change predicted (3.06693e-05%) linmin: converged after 3 iterations. iteration 290: trace = 2.449355034959081 (3.06722e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.449354443292118 (2.4156e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.449353762143089 (2.78093e-05% change) linmin: converged after 4 iterations. iteration 293: trace = 2.449352708332914 (4.3024e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.449351889039794 (3.34494e-05% change) linmin: converged after 4 iterations. iteration 295: trace = 2.449351585100356 (1.2409e-05% change) large trace change predicted (3.67815e-05%) linmin: converged after 3 iterations. iteration 296: trace = 2.449350684017998 (3.67886e-05% change) linmin: converged after 3 iterations. iteration 297: trace = 2.449350402953857 (1.1475e-05% change) linmin: converged after 3 iterations. iteration 298: trace = 2.449349940609417 (1.88762e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.449349559579673 (1.55564e-05% change) linmin: converged after 3 iterations. iteration 300: trace = 2.44934922807857 (1.35343e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.449348890827398 (1.3769e-05% change) linmin: converged after 3 iterations. iteration 302: trace = 2.449348251979753 (2.60823e-05% change) linmin: converged after 2 iterations. iteration 303: trace = 2.44934786972531 (1.56064e-05% change) linmin: converged after 3 iterations. iteration 304: trace = 2.449347371682899 (2.03337e-05% change) linmin: converged after 4 iterations. iteration 305: trace = 2.449346745854469 (2.55508e-05% change) linmin: converged after 4 iterations. iteration 306: trace = 2.449346169640324 (2.35252e-05% change) linmin: converged after 5 iterations. iteration 307: trace = 2.449345904098347 (1.08413e-05% change) large trace change predicted (3.12649e-05%) linmin: converged after 5 iterations. iteration 308: trace = 2.449345138157881 (3.12712e-05% change) linmin: converged after 7 iterations. iteration 309: trace = 2.44934480353307 (1.36618e-05% change) linmin: converged after 5 iterations. iteration 310: trace = 2.449344450018802 (1.4433e-05% change) linmin: converged after 3 iterations. iteration 311: trace = 2.449343802394466 (2.64407e-05% change) linmin: converged after 3 iterations. iteration 312: trace = 2.449343143912253 (2.6884e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.449342776929857 (1.49829e-05% change) large trace change predicted (3.11968e-05%) linmin: converged after 4 iterations. iteration 314: trace = 2.449342012760775 (3.11989e-05% change) linmin: converged after 5 iterations. iteration 315: trace = 2.449341714115658 (1.21929e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.449341384688359 (1.34496e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.4493407942203 (2.41072e-05% change) linmin: converged after 3 iterations. iteration 318: trace = 2.449340698053228 (3.92624e-06% change) large trace change predicted (1.58915e-05%) linmin: converged after 3 iterations. iteration 319: trace = 2.449340308887311 (1.58886e-05% change) linmin: converged after 4 iterations. iteration 320: trace = 2.449339986131351 (1.31773e-05% change) linmin: converged after 5 iterations. iteration 321: trace = 2.44933985397313 (5.39567e-06% change) large trace change predicted (2.33662e-05%) linmin: converged after 5 iterations. iteration 322: trace = 2.449339281945652 (2.33544e-05% change) linmin: converged after 5 iterations. iteration 323: trace = 2.449338422337761 (3.50955e-05% change) linmin: converged after 3 iterations. iteration 324: trace = 2.449338205990745 (8.83288e-06% change) large trace change predicted (2.18735e-05%) linmin: converged after 3 iterations. iteration 325: trace = 2.449337670500504 (2.18627e-05% change) linmin: converged after 3 iterations. iteration 326: trace = 2.44933700464647 (2.71851e-05% change) linmin: converged after 3 iterations. iteration 327: trace = 2.449336792404439 (8.66529e-06% change) large trace change predicted (2.7514e-05%) linmin: converged after 4 iterations. iteration 328: trace = 2.449336118673036 (2.75067e-05% change) linmin: converged after 3 iterations. iteration 329: trace = 2.449334926756302 (4.86629e-05% change) linmin: converged after 3 iterations. iteration 330: trace = 2.449334644222518 (1.15351e-05% change) large trace change predicted (4.74306e-05%) linmin: converged after 3 iterations. iteration 331: trace = 2.449333482284284 (4.74389e-05% change) linmin: converged after 3 iterations. iteration 332: trace = 2.449332524737923 (3.90942e-05% change) linmin: converged after 3 iterations. iteration 333: trace = 2.449332180510297 (1.40539e-05% change) large trace change predicted (3.21809e-05%) linmin: converged after 4 iterations. iteration 334: trace = 2.449331392121912 (3.21879e-05% change) linmin: converged after 4 iterations. iteration 335: trace = 2.449330661376707 (2.98345e-05% change) linmin: converged after 4 iterations. iteration 336: trace = 2.449330427039423 (9.5674e-06% change) linmin: converged after 3 iterations. iteration 337: trace = 2.449330030642614 (1.61839e-05% change) linmin: converged after 3 iterations. iteration 338: trace = 2.449329561242167 (1.91644e-05% change) linmin: converged after 4 iterations. iteration 339: trace = 2.449329439783572 (4.95885e-06% change) large trace change predicted (2.22043e-05%) linmin: converged after 5 iterations. iteration 340: trace = 2.449328895846409 (2.22076e-05% change) linmin: converged after 4 iterations. iteration 341: trace = 2.449328323350656 (2.33736e-05% change) linmin: converged after 3 iterations. iteration 342: trace = 2.449328077066567 (1.00552e-05% change) linmin: converged after 4 iterations. iteration 343: trace = 2.449327628167184 (1.83275e-05% change) large trace change predicted (4.4773e-05%) linmin: converged after 4 iterations. iteration 344: trace = 2.449326531429428 (4.47771e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.449326257117741 (1.11995e-05% change) large trace change predicted (4.39671e-05%) linmin: converged after 3 iterations. iteration 346: trace = 2.449325179964449 (4.39775e-05% change) linmin: converged after 3 iterations. iteration 347: trace = 2.449324477786987 (2.86682e-05% change) linmin: converged after 4 iterations. iteration 348: trace = 2.449324203728935 (1.11891e-05% change) large trace change predicted (6.70775e-05%) linmin: converged after 4 iterations. iteration 349: trace = 2.449322560187938 (6.71018e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.449321601693846 (3.9133e-05% change) linmin: converged after 2 iterations. iteration 351: trace = 2.449321376585583 (9.19064e-06% change) large trace change predicted (2.52158e-05%) linmin: converged after 4 iterations. iteration 352: trace = 2.449320758984811 (2.52152e-05% change) linmin: converged after 4 iterations. iteration 353: trace = 2.449320110268061 (2.64856e-05% change) linmin: converged after 3 iterations. iteration 354: trace = 2.449319906678709 (8.31208e-06% change) large trace change predicted (2.73059e-05%) linmin: converged after 3 iterations. iteration 355: trace = 2.449319237961169 (2.73022e-05% change) linmin: converged after 3 iterations. iteration 356: trace = 2.449318875448752 (1.48005e-05% change) linmin: converged after 3 iterations. iteration 357: trace = 2.449318726593051 (6.07743e-06% change) large trace change predicted (1.27211e-05%) linmin: converged after 5 iterations. iteration 358: trace = 2.449318415045872 (1.27197e-05% change) linmin: converged after 4 iterations. iteration 359: trace = 2.44931809144708 (1.32118e-05% change) linmin: converged after 11 iterations. iteration 360: trace = 2.449318011719027 (3.25511e-06% change) large trace change predicted (9.90146e-06%) linmin: converged after 10 iterations. iteration 361: trace = 2.449317769224967 (9.90047e-06% change) linmin: converged after 6 iterations. iteration 362: trace = 2.449317498077501 (1.10703e-05% change) linmin: converged after 4 iterations. iteration 363: trace = 2.44931740310328 (3.87758e-06% change) large trace change predicted (1.3863e-05%) linmin: converged after 4 iterations. iteration 364: trace = 2.44931706362049 (1.38603e-05% change) linmin: converged after 3 iterations. iteration 365: trace = 2.44931655156531 (2.0906e-05% change) linmin: converged after 7 iterations. iteration 366: trace = 2.449316411920108 (5.70139e-06% change) large trace change predicted (1.4082e-05%) linmin: converged after 3 iterations. iteration 367: trace = 2.449316067156623 (1.40759e-05% change) linmin: converged after 5 iterations. iteration 368: trace = 2.449315500873603 (2.312e-05% change) linmin: converged after 5 iterations. iteration 369: trace = 2.449315362635623 (5.64394e-06% change) large trace change predicted (1.99709e-05%) linmin: converged after 7 iterations. iteration 370: trace = 2.449314873519143 (1.99695e-05% change) linmin: converged after 3 iterations. iteration 371: trace = 2.449314480725772 (1.60369e-05% change) linmin: converged after 3 iterations. iteration 372: trace = 2.449314348146494 (5.41291e-06% change) large trace change predicted (1.4797e-05%) linmin: converged after 3 iterations. iteration 373: trace = 2.449313985607786 (1.48016e-05% change) linmin: converged after 4 iterations. iteration 374: trace = 2.449313686670046 (1.2205e-05% change) linmin: converged after 3 iterations. iteration 375: trace = 2.449313538590556 (6.04575e-06% change) large trace change predicted (1.49636e-05%) linmin: converged after 5 iterations. iteration 376: trace = 2.449313171926733 (1.49701e-05% change) linmin: converged after 3 iterations. iteration 377: trace = 2.449312968406603 (8.30927e-06% change) linmin: converged after 3 iterations. iteration 378: trace = 2.449312869935938 (4.02034e-06% change) linmin: converged after 4 iterations. iteration 379: trace = 2.449312705124026 (6.7289e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.449312540396011 (6.72548e-06% change) linmin: converged after 5 iterations. iteration 381: trace = 2.4493125069584 (1.36518e-06% change) large trace change predicted (6.71298e-06%) linmin: converged after 2 iterations. iteration 382: trace = 2.449312342534158 (6.71308e-06% change) linmin: converged after 10 iterations. iteration 383: trace = 2.449312222036588 (4.91965e-06% change) linmin: converged after 4 iterations. iteration 384: trace = 2.44931212803657 (3.83781e-06% change) large trace change predicted (1.21273e-05%) linmin: converged after 6 iterations. iteration 385: trace = 2.449311831040836 (1.21257e-05% change) linmin: converged after 3 iterations. iteration 386: trace = 2.449311561278645 (1.10138e-05% change) linmin: converged after 3 iterations. iteration 387: trace = 2.449311374047237 (7.64425e-06% change) linmin: converged after 4 iterations. iteration 388: trace = 2.449311177787632 (8.01285e-06% change) linmin: converged after 5 iterations. iteration 389: trace = 2.449311009903701 (6.85433e-06% change) linmin: converged after 13 iterations. iteration 390: trace = 2.449310860118933 (6.11538e-06% change) large trace change predicted (1.33213e-05%) linmin: converged after 3 iterations. iteration 391: trace = 2.449310533904951 (1.33186e-05% change) linmin: converged after 5 iterations. iteration 392: trace = 2.449310462545807 (2.91344e-06% change) large trace change predicted (9.74045e-06%) linmin: converged after 12 iterations. iteration 393: trace = 2.449310223997382 (9.73941e-06% change) linmin: converged after 7 iterations. iteration 394: trace = 2.449310011655474 (8.66946e-06% change) linmin: converged after 6 iterations. iteration 395: trace = 2.449309824214756 (7.6528e-06% change) linmin: converged after 7 iterations. iteration 396: trace = 2.449309726172773 (4.00284e-06% change) large trace change predicted (8.02597e-06%) linmin: converged after 3 iterations. iteration 397: trace = 2.449309529594575 (8.02586e-06% change) linmin: converged after 3 iterations. iteration 398: trace = 2.449309423289577 (4.3402e-06% change) linmin: converged after 8 iterations. iteration 399: trace = 2.449309301877057 (4.95701e-06% change) linmin: converged after 2 iterations. iteration 400: trace = 2.449309167177004 (5.49951e-06% change) linmin: converged after 5 iterations. iteration 401: trace = 2.449309095784407 (2.91481e-06% change) large trace change predicted (6.81698e-06%) linmin: converged after 4 iterations. iteration 402: trace = 2.449308928822813 (6.81668e-06% change) linmin: converged after 5 iterations. iteration 403: trace = 2.449308691202817 (9.70151e-06% change) linmin: converged after 3 iterations. iteration 404: trace = 2.449308627528927 (2.59967e-06% change) large trace change predicted (7.59525e-06%) linmin: converged after 4 iterations. iteration 405: trace = 2.449308441502438 (7.59506e-06% change) linmin: converged after 4 iterations. iteration 406: trace = 2.449308194291874 (1.00931e-05% change) linmin: converged after 3 iterations. iteration 407: trace = 2.449308128134732 (2.70105e-06% change) large trace change predicted (8.70078e-06%) linmin: converged after 6 iterations. iteration 408: trace = 2.44930791505056 (8.69977e-06% change) linmin: converged after 3 iterations. iteration 409: trace = 2.449307741561438 (7.08319e-06% change) linmin: converged after 4 iterations. iteration 410: trace = 2.449307693201818 (1.97442e-06% change) large trace change predicted (4.34657e-06%) linmin: converged after 3 iterations. iteration 411: trace = 2.449307586749105 (4.34624e-06% change) linmin: converged after 8 iterations. iteration 412: trace = 2.449307383277962 (8.30729e-06% change) linmin: converged after 4 iterations. iteration 413: trace = 2.449307338664779 (1.82146e-06% change) large trace change predicted (6.82004e-06%) linmin: converged after 8 iterations. iteration 414: trace = 2.449307171656245 (6.8186e-06% change) linmin: converged after 3 iterations. iteration 415: trace = 2.449307001499976 (6.94712e-06% change) linmin: converged after 3 iterations. iteration 416: trace = 2.449306953216365 (1.97132e-06% change) large trace change predicted (4.81752e-06%) linmin: converged after 4 iterations. iteration 417: trace = 2.449306835222116 (4.81745e-06% change) linmin: converged after 3 iterations. iteration 418: trace = 2.449306768838034 (2.71032e-06% change) linmin: converged after 5 iterations. iteration 419: trace = 2.4493067451433 (9.67406e-07% change) resetting CG direction... linmin: converged after 20 iterations. iteration 420: trace = 2.449306725072224 (8.19459e-07% change) large trace change predicted (1.66437e-06%) linmin: converged after 6 iterations. iteration 421: trace = 2.449306684305927 (1.6644e-06% change) large trace change predicted (3.4593e-06%) linmin: converged after 16 iterations. iteration 422: trace = 2.449306599574101 (3.45942e-06% change) linmin: converged after 3 iterations. iteration 423: trace = 2.449306560107444 (1.61134e-06% change) large trace change predicted (4.59546e-06%) linmin: converged after 8 iterations. iteration 424: trace = 2.449306447544326 (4.59571e-06% change) linmin: converged after 4 iterations. iteration 425: trace = 2.449306252237208 (7.97398e-06% change) linmin: converged after 7 iterations. iteration 426: trace = 2.449306211569634 (1.66037e-06% change) large trace change predicted (6.22395e-06%) linmin: converged after 4 iterations. iteration 427: trace = 2.449306059113298 (6.22447e-06% change) linmin: converged after 6 iterations. iteration 428: trace = 2.449305960097179 (4.04262e-06% change) linmin: converged after 3 iterations. iteration 429: trace = 2.449305927653712 (1.3246e-06% change) large trace change predicted (6.34973e-06%) linmin: converged after 3 iterations. iteration 430: trace = 2.449305772119602 (6.35013e-06% change) linmin: converged after 9 iterations. iteration 431: trace = 2.449305625786909 (5.97446e-06% change) linmin: converged after 2 iterations. iteration 432: trace = 2.449305562595486 (2.57997e-06% change) large trace change predicted (5.54661e-06%) linmin: converged after 3 iterations. iteration 433: trace = 2.449305426737112 (5.54681e-06% change) linmin: converged after 7 iterations. iteration 434: trace = 2.449305232702989 (7.92201e-06% change) linmin: converged after 4 iterations. iteration 435: trace = 2.449305191541447 (1.68054e-06% change) large trace change predicted (7.58987e-06%) linmin: converged after 4 iterations. iteration 436: trace = 2.449305005628148 (7.59045e-06% change) linmin: converged after 6 iterations. iteration 437: trace = 2.449304916521964 (3.63802e-06% change) linmin: converged after 5 iterations. iteration 438: trace = 2.449304869274703 (1.92901e-06% change) linmin: converged after 6 iterations. iteration 439: trace = 2.449304776254222 (3.79783e-06% change) linmin: converged after 5 iterations. iteration 440: trace = 2.449304676821476 (4.05963e-06% change) linmin: converged after 5 iterations. iteration 441: trace = 2.44930463385178 (1.75436e-06% change) large trace change predicted (4.49743e-06%) linmin: converged after 3 iterations. iteration 442: trace = 2.449304523683608 (4.49794e-06% change) linmin: converged after 8 iterations. iteration 443: trace = 2.449304380822035 (5.83274e-06% change) linmin: converged after 3 iterations. iteration 444: trace = 2.449304332160704 (1.98674e-06% change) large trace change predicted (5.50333e-06%) linmin: converged after 18 iterations. iteration 445: trace = 2.449304197355313 (5.50382e-06% change) linmin: converged after 5 iterations. iteration 446: trace = 2.44930403365478 (6.68355e-06% change) linmin: converged after 5 iterations. iteration 447: trace = 2.449303994143077 (1.61318e-06% change) large trace change predicted (5.69072e-06%) linmin: converged after 4 iterations. iteration 448: trace = 2.449303854748553 (5.69119e-06% change) linmin: converged after 3 iterations. iteration 449: trace = 2.449303747679084 (4.37142e-06% change) linmin: converged after 3 iterations. iteration 450: trace = 2.449303702452303 (1.84652e-06% change) large trace change predicted (5.59965e-06%) linmin: converged after 3 iterations. iteration 451: trace = 2.449303565291704 (5.59998e-06% change) linmin: converged after 3 iterations. iteration 452: trace = 2.449303395143961 (6.94678e-06% change) linmin: converged after 5 iterations. iteration 453: trace = 2.449303349696649 (1.85552e-06% change) large trace change predicted (6.13757e-06%) linmin: converged after 3 iterations. iteration 454: trace = 2.449303199361741 (6.13786e-06% change) linmin: converged after 3 iterations. iteration 455: trace = 2.449303078353134 (4.94053e-06% change) linmin: converged after 4 iterations. iteration 456: trace = 2.449303047556367 (1.25737e-06% change) large trace change predicted (5.04598e-06%) linmin: converged after 4 iterations. iteration 457: trace = 2.449302923970154 (5.04577e-06% change) linmin: converged after 5 iterations. iteration 458: trace = 2.449302877762755 (1.88655e-06% change) linmin: converged after 4 iterations. iteration 459: trace = 2.449302849113564 (1.16969e-06% change) large trace change predicted (2.94214e-06%) linmin: converged after 5 iterations. iteration 460: trace = 2.44930277705875 (2.94185e-06% change) linmin: converged after 4 iterations. iteration 461: trace = 2.449302672587158 (4.26536e-06% change) linmin: converged after 15 iterations. iteration 462: trace = 2.449302626085145 (1.89858e-06% change) large trace change predicted (7.05258e-06%) linmin: converged after 4 iterations. iteration 463: trace = 2.449302453402238 (7.05029e-06% change) linmin: converged after 3 iterations. iteration 464: trace = 2.449302365932839 (3.5712e-06% change) linmin: converged after 3 iterations. iteration 465: trace = 2.449302274792224 (3.72108e-06% change) linmin: converged after 4 iterations. iteration 466: trace = 2.449302115230971 (6.51456e-06% change) linmin: converged after 5 iterations. iteration 467: trace = 2.449302034277987 (3.30514e-06% change) linmin: converged after 3 iterations. iteration 468: trace = 2.44930192795961 (4.34076e-06% change) large trace change predicted (9.41381e-06%) linmin: converged after 4 iterations. iteration 469: trace = 2.449301697369779 (9.41451e-06% change) linmin: converged after 6 iterations. iteration 470: trace = 2.44930159111073 (4.33834e-06% change) linmin: converged after 4 iterations. iteration 471: trace = 2.449301482625699 (4.42922e-06% change) large trace change predicted (9.70938e-06%) linmin: converged after 4 iterations. iteration 472: trace = 2.449301244751595 (9.71192e-06% change) linmin: converged after 5 iterations. iteration 473: trace = 2.449301053281638 (7.81733e-06% change) linmin: converged after 3 iterations. iteration 474: trace = 2.449301008143276 (1.84291e-06% change) large trace change predicted (5.15666e-06%) linmin: converged after 6 iterations. iteration 475: trace = 2.449300881833189 (5.15699e-06% change) linmin: converged after 2 iterations. iteration 476: trace = 2.449300793725831 (3.59725e-06% change) linmin: converged after 7 iterations. iteration 477: trace = 2.449300767297665 (1.07901e-06% change) large trace change predicted (4.14078e-06%) linmin: converged after 3 iterations. iteration 478: trace = 2.449300665869618 (4.1411e-06% change) linmin: converged after 2 iterations. iteration 479: trace = 2.449300606508049 (2.42361e-06% change) linmin: converged after 5 iterations. iteration 480: trace = 2.449300555709686 (2.07399e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.449300480150979 (3.08491e-06% change) linmin: converged after 4 iterations. iteration 482: trace = 2.449300364667292 (4.71497e-06% change) linmin: converged after 6 iterations. iteration 483: trace = 2.449300316705394 (1.95819e-06% change) large trace change predicted (7.02563e-06%) linmin: converged after 22 iterations. iteration 484: trace = 2.449300144630298 (7.02548e-06% change) linmin: converged after 4 iterations. iteration 485: trace = 2.449300028297628 (4.74963e-06% change) linmin: converged after 5 iterations. iteration 486: trace = 2.449299966977565 (2.50357e-06% change) large trace change predicted (7.85226e-06%) linmin: converged after 5 iterations. iteration 487: trace = 2.449299774656796 (7.85207e-06% change) linmin: converged after 7 iterations. iteration 488: trace = 2.449299616921946 (6.44e-06% change) linmin: converged after 3 iterations. iteration 489: trace = 2.449299507235975 (4.47826e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.449299409585134 (3.98689e-06% change) linmin: converged after 5 iterations. iteration 491: trace = 2.449299290309888 (4.86977e-06% change) linmin: converged after 3 iterations. iteration 492: trace = 2.449299145414785 (5.91578e-06% change) linmin: converged after 10 iterations. iteration 493: trace = 2.449299091791876 (2.18932e-06% change) large trace change predicted (4.63879e-06%) linmin: converged after 3 iterations. iteration 494: trace = 2.449298978181625 (4.63848e-06% change) linmin: converged after 4 iterations. iteration 495: trace = 2.449298830874788 (6.01425e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.449298801944352 (1.18117e-06% change) large trace change predicted (3.53971e-06%) linmin: converged after 8 iterations. iteration 497: trace = 2.449298715247705 (3.53965e-06% change) linmin: converged after 3 iterations. iteration 498: trace = 2.449298653958515 (2.50232e-06% change) linmin: converged after 3 iterations. iteration 499: trace = 2.449298635001618 (7.73972e-07% change) large trace change predicted (2.73652e-06%) linmin: converged after 6 iterations. iteration 500: trace = 2.44929856798088 (2.73632e-06% change) linmin: converged after 3 iterations. iteration 501: trace = 2.449298495080305 (2.97639e-06% change) linmin: converged after 4 iterations. iteration 502: trace = 2.449298476983818 (7.38844e-07% change) large trace change predicted (2.01812e-06%) linmin: converged after 8 iterations. iteration 503: trace = 2.44929842755176 (2.01821e-06% change) linmin: converged after 7 iterations. iteration 504: trace = 2.449298342666999 (3.46568e-06% change) linmin: converged after 11 iterations. iteration 505: trace = 2.449298315496551 (1.10932e-06% change) large trace change predicted (4.8099e-06%) linmin: converged after 6 iterations. iteration 506: trace = 2.449298197702497 (4.8093e-06% change) linmin: converged after 3 iterations. iteration 507: trace = 2.449298091978455 (4.3165e-06% change) linmin: converged after 7 iterations. iteration 508: trace = 2.449298052337681 (1.61845e-06% change) large trace change predicted (3.73981e-06%) linmin: converged after 4 iterations. iteration 509: trace = 2.449297960744903 (3.73955e-06% change) linmin: converged after 3 iterations. iteration 510: trace = 2.449297852630444 (4.4141e-06% change) linmin: converged after 4 iterations. iteration 511: trace = 2.449297823872914 (1.17411e-06% change) large trace change predicted (3.59272e-06%) linmin: converged after 10 iterations. iteration 512: trace = 2.449297735872527 (3.59288e-06% change) linmin: converged after 3 iterations. iteration 513: trace = 2.449297663433571 (2.95754e-06% change) linmin: converged after 21 iterations. iteration 514: trace = 2.449297630544107 (1.34281e-06% change) large trace change predicted (3.09783e-06%) linmin: converged after 4 iterations. iteration 515: trace = 2.449297554652786 (3.09849e-06% change) linmin: converged after 5 iterations. iteration 516: trace = 2.449297474477095 (3.27342e-06% change) linmin: converged after 8 iterations. iteration 517: trace = 2.449297456585411 (7.30482e-07% change) large trace change predicted (2.02913e-06%) linmin: converged after 3 iterations. iteration 518: trace = 2.449297406882123 (2.02929e-06% change) linmin: converged after 2 iterations. iteration 519: trace = 2.449297374675681 (1.31493e-06% change) linmin: converged after 3 iterations. iteration 520: trace = 2.449297348626254 (1.06355e-06% change) linmin: converged after 5 iterations. iteration 521: trace = 2.449297333947085 (5.99322e-07% change) large trace change predicted (1.78995e-06%) linmin: converged after 7 iterations. iteration 522: trace = 2.449297290105366 (1.78997e-06% change) linmin: converged after 9 iterations. iteration 523: trace = 2.449297272922003 (7.01563e-07% change) large trace change predicted (2.10568e-06%) linmin: converged after 5 iterations. iteration 524: trace = 2.449297221351463 (2.10552e-06% change) linmin: converged after 6 iterations. iteration 525: trace = 2.449297169353062 (2.12299e-06% change) linmin: converged after 3 iterations. iteration 526: trace = 2.4492971447356 (1.00508e-06% change) large trace change predicted (3.15744e-06%) linmin: converged after 4 iterations. iteration 527: trace = 2.449297067402391 (3.15736e-06% change) linmin: converged after 8 iterations. iteration 528: trace = 2.44929701558598 (2.11556e-06% change) linmin: converged after 2 iterations. iteration 529: trace = 2.449296995180555 (8.33114e-07% change) linmin: converged after 4 iterations. iteration 530: trace = 2.449296955057128 (1.63816e-06% change) linmin: converged after 10 iterations. iteration 531: trace = 2.449296892338471 (2.56068e-06% change) linmin: converged after 8 iterations. iteration 532: trace = 2.449296861748987 (1.24891e-06% change) linmin: converged after 4 iterations. iteration 533: trace = 2.449296816597869 (1.84343e-06% change) linmin: converged after 10 iterations. iteration 534: trace = 2.449296762929523 (2.19117e-06% change) linmin: converged after 16 iterations. iteration 535: trace = 2.449296746179447 (6.83873e-07% change) large trace change predicted (1.93385e-06%) linmin: converged after 3 iterations. iteration 536: trace = 2.449296698816151 (1.93375e-06% change) linmin: converged after 4 iterations. iteration 537: trace = 2.449296663527229 (1.44078e-06% change) linmin: converged after 4 iterations. iteration 538: trace = 2.44929665324367 (4.19858e-07% change) large trace change predicted (1.81535e-06%) linmin: converged after 7 iterations. iteration 539: trace = 2.44929660878107 (1.81532e-06% change) linmin: converged after 9 iterations. iteration 540: trace = 2.449296579725205 (1.18629e-06% change) linmin: converged after 4 iterations. iteration 541: trace = 2.449296566137362 (5.54765e-07% change) large trace change predicted (1.32846e-06%) linmin: converged after 8 iterations. iteration 542: trace = 2.449296533600947 (1.3284e-06% change) linmin: converged after 8 iterations. iteration 543: trace = 2.449296474884474 (2.39728e-06% change) linmin: converged after 19 iterations. iteration 544: trace = 2.449296459749189 (6.17944e-07% change) large trace change predicted (1.94231e-06%) linmin: converged after 2 iterations. iteration 545: trace = 2.449296412175168 (1.94235e-06% change) linmin: converged after 3 iterations. iteration 546: trace = 2.449296366857528 (1.85023e-06% change) linmin: converged after 3 iterations. iteration 547: trace = 2.449296326596797 (1.64377e-06% change) linmin: converged after 9 iterations. iteration 548: trace = 2.449296309541068 (6.96352e-07% change) large trace change predicted (1.96182e-06%) linmin: converged after 4 iterations. iteration 549: trace = 2.449296261491707 (1.96176e-06% change) linmin: converged after 5 iterations. iteration 550: trace = 2.449296249943655 (4.71484e-07% change) large trace change predicted (9.44489e-07%) linmin: converged after 10 iterations. iteration 551: trace = 2.449296226810176 (9.44495e-07% change) linmin: converged after 5 iterations. iteration 552: trace = 2.449296187658192 (1.5985e-06% change) linmin: converged after 8 iterations. iteration 553: trace = 2.449296176199394 (4.6784e-07% change) large trace change predicted (1.79482e-06%) linmin: converged after 5 iterations. iteration 554: trace = 2.449296132241032 (1.79473e-06% change) linmin: converged after 3 iterations. iteration 555: trace = 2.449296101593487 (1.25128e-06% change) linmin: converged after 4 iterations. iteration 556: trace = 2.449296088039691 (5.53375e-07% change) linmin: converged after 4 iterations. iteration 557: trace = 2.44929607061747 (7.11315e-07% change) linmin: converged after 3 iterations. iteration 558: trace = 2.449296056765963 (5.6553e-07% change) linmin: converged after 4 iterations. iteration 559: trace = 2.449296052129408 (1.89302e-07% change) resetting CG direction... linmin: converged after 9 iterations. iteration 560: trace = 2.449296047861448 (1.74253e-07% change) large trace change predicted (4.43064e-07%) linmin: converged after 10 iterations. iteration 561: trace = 2.44929603700938 (4.43069e-07% change) linmin: converged after 4 iterations. iteration 562: trace = 2.449296020956375 (6.55413e-07% change) linmin: converged after 5 iterations. iteration 563: trace = 2.449296010019716 (4.46523e-07% change) large trace change predicted (1.09888e-06%) linmin: converged after 5 iterations. iteration 564: trace = 2.449295983103795 (1.09892e-06% change) linmin: converged after 11 iterations. iteration 565: trace = 2.449295941361363 (1.70426e-06% change) linmin: converged after 5 iterations. iteration 566: trace = 2.449295930572129 (4.40503e-07% change) large trace change predicted (1.49363e-06%) linmin: converged after 3 iterations. iteration 567: trace = 2.449295893987866 (1.49366e-06% change) linmin: converged after 9 iterations. iteration 568: trace = 2.449295876160525 (7.27856e-07% change) linmin: converged after 12 iterations. iteration 569: trace = 2.449295864894222 (4.59981e-07% change) large trace change predicted (1.52131e-06%) linmin: converged after 4 iterations. iteration 570: trace = 2.449295827631873 (1.52135e-06% change) linmin: converged after 3 iterations. iteration 571: trace = 2.449295814170512 (5.49601e-07% change) large trace change predicted (1.49524e-06%) linmin: converged after 2 iterations. iteration 572: trace = 2.449295777547662 (1.49524e-06% change) linmin: converged after 4 iterations. iteration 573: trace = 2.449295742393283 (1.43529e-06% change) linmin: converged after 4 iterations. iteration 574: trace = 2.449295704663474 (1.54044e-06% change) linmin: converged after 20 iterations. iteration 575: trace = 2.449295693705984 (4.47373e-07% change) large trace change predicted (1.68104e-06%) linmin: converged after 10 iterations. iteration 576: trace = 2.449295652531186 (1.68109e-06% change) linmin: converged after 3 iterations. iteration 577: trace = 2.449295624443886 (1.14675e-06% change) linmin: converged after 5 iterations. iteration 578: trace = 2.449295616041159 (3.43067e-07% change) large trace change predicted (7.87332e-07%) linmin: converged after 3 iterations. iteration 579: trace = 2.449295596756235 (7.87366e-07% change) linmin: converged after 4 iterations. iteration 580: trace = 2.449295571314893 (1.03872e-06% change) linmin: converged after 5 iterations. iteration 581: trace = 2.449295562742442 (3.49997e-07% change) large trace change predicted (1.04186e-06%) linmin: converged after 4 iterations. iteration 582: trace = 2.449295537223202 (1.0419e-06% change) linmin: converged after 8 iterations. iteration 583: trace = 2.449295509947777 (1.1136e-06% change) linmin: converged after 4 iterations. iteration 584: trace = 2.449295497381045 (5.13075e-07% change) large trace change predicted (1.50131e-06%) linmin: converged after 6 iterations. iteration 585: trace = 2.449295460607614 (1.50139e-06% change) linmin: converged after 5 iterations. iteration 586: trace = 2.449295426712047 (1.38389e-06% change) linmin: converged after 3 iterations. iteration 587: trace = 2.449295413423447 (5.42548e-07% change) large trace change predicted (1.40483e-06%) linmin: converged after 2 iterations. iteration 588: trace = 2.449295379014137 (1.40487e-06% change) linmin: converged after 6 iterations. iteration 589: trace = 2.44929535770602 (8.69969e-07% change) linmin: converged after 11 iterations. iteration 590: trace = 2.449295344168397 (5.52715e-07% change) large trace change predicted (1.2256e-06%) linmin: converged after 6 iterations. iteration 591: trace = 2.44929531414949 (1.22561e-06% change) linmin: converged after 4 iterations. iteration 592: trace = 2.449295276450745 (1.53917e-06% change) linmin: converged after 19 iterations. iteration 593: trace = 2.44929526481195 (4.7519e-07% change) large trace change predicted (1.45904e-06%) linmin: converged after 2 iterations. iteration 594: trace = 2.449295229075188 (1.45906e-06% change) linmin: converged after 9 iterations. iteration 595: trace = 2.449295203113604 (1.05996e-06% change) linmin: converged after 5 iterations. iteration 596: trace = 2.449295195786283 (2.9916e-07% change) large trace change predicted (1.2103e-06%) linmin: converged after 7 iterations. iteration 597: trace = 2.449295166142823 (1.21029e-06% change) linmin: converged after 5 iterations. iteration 598: trace = 2.449295161530805 (1.883e-07% change) large trace change predicted (6.56155e-07%) linmin: converged after 6 iterations. iteration 599: trace = 2.449295145460009 (6.5614e-07% change) linmin: converged after 3 iterations. iteration 600: trace = 2.449295130746707 (6.00716e-07% change) linmin: converged after 18 iterations. iteration 601: trace = 2.449295110986061 (8.06789e-07% change) linmin: converged after 4 iterations. iteration 602: trace = 2.449295098955524 (4.91184e-07% change) large trace change predicted (1.81771e-06%) linmin: converged after 14 iterations. iteration 603: trace = 2.449295054442158 (1.81739e-06% change) linmin: converged after 4 iterations. iteration 604: trace = 2.449295025432408 (1.18441e-06% change) linmin: converged after 6 iterations. iteration 605: trace = 2.449295012147908 (5.42381e-07% change) large trace change predicted (1.67882e-06%) linmin: converged after 11 iterations. iteration 606: trace = 2.449294971031821 (1.67869e-06% change) linmin: converged after 3 iterations. iteration 607: trace = 2.449294935789843 (1.43886e-06% change) linmin: converged after 10 iterations. iteration 608: trace = 2.449294924326798 (4.68014e-07% change) large trace change predicted (1.92192e-06%) linmin: converged after 4 iterations. iteration 609: trace = 2.449294877251573 (1.92199e-06% change) linmin: converged after 6 iterations. iteration 610: trace = 2.449294838795419 (1.57009e-06% change) linmin: converged after 6 iterations. iteration 611: trace = 2.449294823663674 (6.178e-07% change) large trace change predicted (1.79343e-06%) linmin: converged after 12 iterations. iteration 612: trace = 2.449294779733273 (1.79359e-06% change) linmin: converged after 5 iterations. iteration 613: trace = 2.449294739969449 (1.62348e-06% change) linmin: converged after 5 iterations. iteration 614: trace = 2.449294726469378 (5.51182e-07% change) large trace change predicted (1.33778e-06%) linmin: converged after 9 iterations. iteration 615: trace = 2.449294693700516 (1.33789e-06% change) linmin: converged after 4 iterations. iteration 616: trace = 2.44929467523935 (7.53734e-07% change) linmin: converged after 5 iterations. iteration 617: trace = 2.44929466807955 (2.92321e-07% change) large trace change predicted (9.14668e-07%) linmin: converged after 5 iterations. iteration 618: trace = 2.449294645675865 (9.14699e-07% change) linmin: converged after 8 iterations. iteration 619: trace = 2.449294630696033 (6.11598e-07% change) linmin: converged after 4 iterations. iteration 620: trace = 2.449294619098754 (4.73495e-07% change) linmin: converged after 4 iterations. iteration 621: trace = 2.449294601429188 (7.21414e-07% change) linmin: converged after 13 iterations. iteration 622: trace = 2.449294581205226 (8.25706e-07% change) linmin: converged after 5 iterations. iteration 623: trace = 2.449294565399899 (6.45301e-07% change) large trace change predicted (1.83143e-06%) linmin: converged after 7 iterations. iteration 624: trace = 2.449294520543473 (1.8314e-06% change) linmin: converged after 5 iterations. iteration 625: trace = 2.449294498039009 (9.18814e-07% change) linmin: converged after 7 iterations. iteration 626: trace = 2.44929447877777 (7.864e-07% change) large trace change predicted (1.64517e-06%) linmin: converged after 10 iterations. iteration 627: trace = 2.449294438482907 (1.64516e-06% change) linmin: converged after 3 iterations. iteration 628: trace = 2.449294403706602 (1.41985e-06% change) linmin: converged after 2 iterations. iteration 629: trace = 2.44929437844418 (1.03142e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.449294355042529 (9.55445e-07% change) linmin: converged after 3 iterations. iteration 631: trace = 2.449294326449291 (1.16741e-06% change) linmin: converged after 3 iterations. iteration 632: trace = 2.449294290237817 (1.47845e-06% change) linmin: converged after 20 iterations. iteration 633: trace = 2.449294273333134 (6.90186e-07% change) linmin: converged after 5 iterations. iteration 634: trace = 2.4492942539896 (7.8976e-07% change) linmin: converged after 3 iterations. iteration 635: trace = 2.44929421739547 (1.49407e-06% change) linmin: converged after 5 iterations. iteration 636: trace = 2.449294208743174 (3.53257e-07% change) large trace change predicted (7.2919e-07%) linmin: converged after 4 iterations. iteration 637: trace = 2.449294190882766 (7.29206e-07% change) linmin: converged after 8 iterations. iteration 638: trace = 2.449294176523669 (5.86255e-07% change) linmin: converged after 4 iterations. iteration 639: trace = 2.449294171661921 (1.98496e-07% change) large trace change predicted (6.12896e-07%) linmin: converged after 5 iterations. iteration 640: trace = 2.449294156650668 (6.12881e-07% change) linmin: converged after 4 iterations. iteration 641: trace = 2.44929414097057 (6.40188e-07% change) linmin: converged after 3 iterations. iteration 642: trace = 2.449294135492444 (2.23661e-07% change) large trace change predicted (5.20781e-07%) linmin: converged after 3 iterations. iteration 643: trace = 2.449294122736297 (5.20809e-07% change) linmin: converged after 9 iterations. iteration 644: trace = 2.449294102603887 (8.21968e-07% change) linmin: converged after 13 iterations. iteration 645: trace = 2.44929409752014 (2.0756e-07% change) large trace change predicted (1.23494e-06%) linmin: converged after 4 iterations. iteration 646: trace = 2.44929406727511 (1.23485e-06% change) linmin: converged after 6 iterations. iteration 647: trace = 2.449294043189592 (9.83366e-07% change) linmin: converged after 5 iterations. iteration 648: trace = 2.449294032660562 (4.2988e-07% change) large trace change predicted (9.38911e-07%) linmin: converged after 3 iterations. iteration 649: trace = 2.449294009665002 (9.38865e-07% change) linmin: converged after 4 iterations. iteration 650: trace = 2.449293986266093 (9.55333e-07% change) linmin: converged after 13 iterations. iteration 651: trace = 2.449293978909381 (3.00361e-07% change) large trace change predicted (8.35882e-07%) linmin: converged after 4 iterations. iteration 652: trace = 2.449293958435504 (8.35909e-07% change) linmin: converged after 6 iterations. iteration 653: trace = 2.449293939173085 (7.86448e-07% change) linmin: converged after 4 iterations. iteration 654: trace = 2.449293932462679 (2.73973e-07% change) large trace change predicted (6.98108e-07%) linmin: converged after 4 iterations. iteration 655: trace = 2.449293915362371 (6.98173e-07% change) linmin: converged after 5 iterations. iteration 656: trace = 2.449293896330618 (7.7703e-07% change) linmin: converged after 3 iterations. iteration 657: trace = 2.449293892527304 (1.55282e-07% change) large trace change predicted (5.17848e-07%) linmin: converged after 8 iterations. iteration 658: trace = 2.449293879842989 (5.17876e-07% change) linmin: converged after 2 iterations. iteration 659: trace = 2.449293872302971 (3.07845e-07% change) linmin: converged after 5 iterations. iteration 660: trace = 2.449293865084131 (2.94731e-07% change) linmin: converged after 11 iterations. iteration 661: trace = 2.449293862850208 (9.12068e-08% change) large trace change predicted (4.49491e-07%) linmin: converged after 6 iterations. iteration 662: trace = 2.449293851840766 (4.49495e-07% change) linmin: converged after 2 iterations. iteration 663: trace = 2.449293844983913 (2.79952e-07% change) linmin: converged after 2 iterations. iteration 664: trace = 2.449293835367133 (3.92635e-07% change) linmin: converged after 4 iterations. iteration 665: trace = 2.449293822655824 (5.18979e-07% change) linmin: converged after 6 iterations. iteration 666: trace = 2.449293811604282 (4.51213e-07% change) linmin: converged after 5 iterations. iteration 667: trace = 2.449293799970437 (4.74988e-07% change) linmin: converged after 4 iterations. iteration 668: trace = 2.449293786389094 (5.545e-07% change) linmin: converged after 4 iterations. iteration 669: trace = 2.44929378083245 (2.26867e-07% change) linmin: converged after 4 iterations. iteration 670: trace = 2.449293773591918 (2.95617e-07% change) large trace change predicted (5.94283e-07%) linmin: converged after 20 iterations. iteration 671: trace = 2.449293759036407 (5.94274e-07% change) linmin: converged after 4 iterations. iteration 672: trace = 2.449293751380942 (3.12558e-07% change) linmin: converged after 4 iterations. iteration 673: trace = 2.449293740437164 (4.46814e-07% change) linmin: converged after 12 iterations. iteration 674: trace = 2.449293727147608 (5.42587e-07% change) linmin: converged after 7 iterations. iteration 675: trace = 2.44929372225971 (1.99564e-07% change) large trace change predicted (4.08778e-07%) linmin: converged after 4 iterations. iteration 676: trace = 2.449293712247205 (4.08792e-07% change) linmin: converged after 7 iterations. iteration 677: trace = 2.449293703501304 (3.57079e-07% change) linmin: converged after 19 iterations. iteration 678: trace = 2.449293698743145 (1.94267e-07% change) linmin: converged after 7 iterations. iteration 679: trace = 2.449293691363382 (3.01302e-07% change) linmin: converged after 4 iterations. iteration 680: trace = 2.449293684242373 (2.90737e-07% change) linmin: converged after 6 iterations. iteration 681: trace = 2.449293680047496 (1.71269e-07% change) linmin: converged after 4 iterations. iteration 682: trace = 2.449293673408117 (2.71073e-07% change) large trace change predicted (5.46601e-07%) linmin: converged after 4 iterations. iteration 683: trace = 2.449293660020448 (5.46593e-07% change) linmin: converged after 9 iterations. iteration 684: trace = 2.44929365696491 (1.24752e-07% change) large trace change predicted (5.00174e-07%) linmin: converged after 6 iterations. iteration 685: trace = 2.449293644714299 (5.00169e-07% change) linmin: converged after 8 iterations. iteration 686: trace = 2.44929363377897 (4.46469e-07% change) linmin: converged after 5 iterations. iteration 687: trace = 2.449293621825407 (4.88041e-07% change) linmin: converged after 4 iterations. iteration 688: trace = 2.449293619273416 (1.04193e-07% change) large trace change predicted (4.31578e-07%) linmin: converged after 6 iterations. iteration 689: trace = 2.449293608702908 (4.31574e-07% change) linmin: converged after 5 iterations. iteration 690: trace = 2.449293602811267 (2.40545e-07% change) linmin: converged after 9 iterations. iteration 691: trace = 2.449293599924643 (1.17855e-07% change) large trace change predicted (3.80132e-07%) linmin: converged after 5 iterations. iteration 692: trace = 2.449293590614174 (3.80129e-07% change) linmin: converged after 5 iterations. iteration 693: trace = 2.449293581001431 (3.9247e-07% change) linmin: converged after 6 iterations. iteration 694: trace = 2.449293577074315 (1.60337e-07% change) linmin: converged after 11 iterations. iteration 695: trace = 2.449293569929678 (2.91702e-07% change) linmin: converged after 7 iterations. iteration 696: trace = 2.449293565027925 (2.00129e-07% change) linmin: converged after 5 iterations. iteration 697: trace = 2.449293563236689 (7.31328e-08% change) linmin: converged after 4 iterations. iteration 698: trace = 2.449293560105845 (1.27826e-07% change) large trace change predicted (2.87315e-07%) linmin: converged after 3 iterations. iteration 699: trace = 2.449293553068687 (2.87314e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 700: trace = 2.449293548808675 (1.73928e-07% change) linmin: converged after 13 iterations. iteration 701: trace = 2.449293544773333 (1.64755e-07% change) linmin: converged after 4 iterations. iteration 702: trace = 2.449293542919739 (7.56787e-08% change) large trace change predicted (1.51734e-07%) linmin: converged after 6 iterations. iteration 703: trace = 2.44929353920329 (1.51736e-07% change) linmin: converged after 5 iterations. iteration 704: trace = 2.44929353286784 (2.58664e-07% change) linmin: converged after 4 iterations. iteration 705: trace = 2.449293528943157 (1.60237e-07% change) linmin: converged after 4 iterations. iteration 706: trace = 2.449293522248951 (2.73312e-07% change) linmin: converged after 4 iterations. iteration 707: trace = 2.449293514237624 (3.27087e-07% change) linmin: converged after 7 iterations. iteration 708: trace = 2.44929351098043 (1.32985e-07% change) linmin: converged after 8 iterations. iteration 709: trace = 2.449293505008282 (2.43831e-07% change) linmin: converged after 3 iterations. iteration 710: trace = 2.449293495252991 (3.9829e-07% change) linmin: converged after 4 iterations. iteration 711: trace = 2.449293493332185 (7.84229e-08% change) large trace change predicted (3.20573e-07%) linmin: converged after 2 iterations. iteration 712: trace = 2.449293485480334 (3.20576e-07% change) linmin: converged after 23 iterations. iteration 713: trace = 2.449293478812335 (2.72242e-07% change) linmin: converged after 2 iterations. iteration 714: trace = 2.449293475406798 (1.39042e-07% change) large trace change predicted (4.66538e-07%) linmin: converged after 10 iterations. iteration 715: trace = 2.449293463979679 (4.66548e-07% change) linmin: converged after 10 iterations. iteration 716: trace = 2.449293454338703 (3.93623e-07% change) linmin: converged after 4 iterations. iteration 717: trace = 2.449293452359938 (8.07892e-08% change) large trace change predicted (2.47161e-07%) linmin: converged after 6 iterations. iteration 718: trace = 2.449293446306128 (2.47166e-07% change) linmin: converged after 4 iterations. iteration 719: trace = 2.449293441226832 (2.07378e-07% change) linmin: converged after 6 iterations. iteration 720: trace = 2.44929343787427 (1.36879e-07% change) linmin: converged after 21 iterations. iteration 721: trace = 2.449293433025206 (1.97978e-07% change) linmin: converged after 12 iterations. iteration 722: trace = 2.449293426916212 (2.49419e-07% change) linmin: converged after 11 iterations. iteration 723: trace = 2.449293424485135 (9.92563e-08% change) large trace change predicted (2.73308e-07%) linmin: converged after 5 iterations. iteration 724: trace = 2.449293417790902 (2.73313e-07% change) linmin: converged after 4 iterations. iteration 725: trace = 2.449293411213537 (2.68541e-07% change) linmin: converged after 16 iterations. iteration 726: trace = 2.44929340823687 (1.21532e-07% change) large trace change predicted (4.41049e-07%) linmin: converged after 21 iterations. iteration 727: trace = 2.44929339743399 (4.41061e-07% change) linmin: converged after 6 iterations. iteration 728: trace = 2.449293387690068 (3.97826e-07% change) linmin: converged after 8 iterations. iteration 729: trace = 2.449293384786826 (1.18534e-07% change) linmin: converged after 3 iterations. iteration 730: trace = 2.449293379823016 (2.02663e-07% change) linmin: converged after 4 iterations. iteration 731: trace = 2.449293372771065 (2.87918e-07% change) linmin: converged after 4 iterations. iteration 732: trace = 2.449293368813375 (1.61585e-07% change) large trace change predicted (3.54469e-07%) linmin: converged after 18 iterations. iteration 733: trace = 2.449293360131327 (3.54472e-07% change) linmin: converged after 3 iterations. iteration 734: trace = 2.449293352341432 (3.18047e-07% change) linmin: converged after 4 iterations. iteration 735: trace = 2.44929334880828 (1.44252e-07% change) linmin: converged after 10 iterations. iteration 736: trace = 2.44929334354729 (2.14796e-07% change) linmin: converged after 4 iterations. iteration 737: trace = 2.44929333755609 (2.44609e-07% change) linmin: converged after 13 iterations. iteration 738: trace = 2.449293336421952 (4.63047e-08% change) large trace change predicted (1.54443e-07%) linmin: converged after 6 iterations. iteration 739: trace = 2.449293332639244 (1.54441e-07% change) linmin: converged after 5 iterations. iteration 740: trace = 2.449293328382129 (1.7381e-07% change) linmin: converged after 6 iterations. iteration 741: trace = 2.449293326700714 (6.8649e-08% change) large trace change predicted (1.47603e-07%) linmin: converged after 3 iterations. iteration 742: trace = 2.449293323085541 (1.47601e-07% change) large trace change predicted (3.66834e-07%) linmin: converged after 8 iterations. iteration 743: trace = 2.449293314101291 (3.6681e-07% change) linmin: converged after 4 iterations. iteration 744: trace = 2.449293310784075 (1.35436e-07% change) large trace change predicted (3.76738e-07%) linmin: converged after 6 iterations. iteration 745: trace = 2.449293301557257 (3.76713e-07% change) linmin: converged after 4 iterations. iteration 746: trace = 2.449293293201102 (3.41166e-07% change) linmin: converged after 4 iterations. iteration 747: trace = 2.44929328829274 (2.00399e-07% change) linmin: converged after 13 iterations. iteration 748: trace = 2.449293281659668 (2.70816e-07% change) linmin: converged after 4 iterations. iteration 749: trace = 2.44929327074264 (4.45722e-07% change) linmin: converged after 4 iterations. iteration 750: trace = 2.449293266459954 (1.74854e-07% change) linmin: converged after 7 iterations. iteration 751: trace = 2.449293259098071 (3.00572e-07% change) linmin: converged after 10 iterations. iteration 752: trace = 2.449293247611516 (4.68974e-07% change) linmin: converged after 5 iterations. iteration 753: trace = 2.449293237398935 (4.1696e-07% change) linmin: converged after 4 iterations. iteration 754: trace = 2.449293233178142 (1.72327e-07% change) linmin: converged after 5 iterations. iteration 755: trace = 2.449293224988407 (3.34371e-07% change) linmin: converged after 9 iterations. iteration 756: trace = 2.449293220677124 (1.76022e-07% change) linmin: converged after 13 iterations. iteration 757: trace = 2.449293218884978 (7.31699e-08% change) large trace change predicted (2.35543e-07%) linmin: converged after 9 iterations. iteration 758: trace = 2.44929321311575 (2.35547e-07% change) linmin: converged after 12 iterations. iteration 759: trace = 2.449293209748139 (1.37493e-07% change) linmin: converged after 4 iterations. iteration 760: trace = 2.449293207154633 (1.05888e-07% change) linmin: converged after 4 iterations. iteration 761: trace = 2.449293202837956 (1.76242e-07% change) linmin: converged after 4 iterations. iteration 762: trace = 2.449293199498046 (1.36362e-07% change) linmin: converged after 6 iterations. iteration 763: trace = 2.44929319514419 (1.7776e-07% change) linmin: converged after 4 iterations. iteration 764: trace = 2.44929318659746 (3.48947e-07% change) linmin: converged after 2 iterations. iteration 765: trace = 2.449293179161958 (3.03577e-07% change) linmin: converged after 4 iterations. iteration 766: trace = 2.449293174649521 (1.84234e-07% change) linmin: converged after 5 iterations. iteration 767: trace = 2.44929316610099 (3.4902e-07% change) linmin: converged after 6 iterations. iteration 768: trace = 2.449293159642551 (2.63686e-07% change) linmin: converged after 4 iterations. iteration 769: trace = 2.449293155234113 (1.79988e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 770: trace = 2.449293151093133 (1.69068e-07% change) linmin: converged after 2 iterations. iteration 771: trace = 2.449293145637657 (2.22737e-07% change) linmin: converged after 12 iterations. iteration 772: trace = 2.449293137699096 (3.24116e-07% change) linmin: converged after 4 iterations. iteration 773: trace = 2.449293133542546 (1.69704e-07% change) linmin: converged after 5 iterations. iteration 774: trace = 2.449293127286766 (2.55412e-07% change) linmin: converged after 12 iterations. iteration 775: trace = 2.449293119746817 (3.07842e-07% change) linmin: converged after 3 iterations. iteration 776: trace = 2.44929311647961 (1.33394e-07% change) linmin: converged after 6 iterations. iteration 777: trace = 2.449293113730992 (1.12221e-07% change) linmin: converged after 4 iterations. iteration 778: trace = 2.449293110269648 (1.4132e-07% change) linmin: converged after 4 iterations. iteration 779: trace = 2.449293108521509 (7.13732e-08% change) linmin: converged after 7 iterations. iteration 780: trace = 2.449293105925201 (1.06002e-07% change) linmin: converged after 8 iterations. iteration 781: trace = 2.449293101478064 (1.81568e-07% change) linmin: converged after 4 iterations. iteration 782: trace = 2.449293100186668 (5.27253e-08% change) large trace change predicted (1.25415e-07%) linmin: converged after 10 iterations. iteration 783: trace = 2.449293097114805 (1.25418e-07% change) linmin: converged after 16 iterations. iteration 784: trace = 2.449293091795528 (2.17176e-07% change) linmin: converged after 4 iterations. iteration 785: trace = 2.449293090587489 (4.93219e-08% change) large trace change predicted (3.30874e-07%) linmin: converged after 5 iterations. iteration 786: trace = 2.449293082483669 (3.30864e-07% change) linmin: converged after 4 iterations. iteration 787: trace = 2.449293075650876 (2.7897e-07% change) linmin: converged after 7 iterations. iteration 788: trace = 2.449293073302683 (9.58723e-08% change) large trace change predicted (2.03311e-07%) linmin: converged after 16 iterations. iteration 789: trace = 2.449293068323126 (2.03306e-07% change) linmin: converged after 7 iterations. iteration 790: trace = 2.449293061997253 (2.58273e-07% change) linmin: converged after 4 iterations. iteration 791: trace = 2.449293060517018 (6.04352e-08% change) large trace change predicted (1.96899e-07%) linmin: converged after 16 iterations. iteration 792: trace = 2.449293055694312 (1.96902e-07% change) linmin: converged after 19 iterations. iteration 793: trace = 2.44929305100255 (1.91556e-07% change) linmin: converged after 4 iterations. iteration 794: trace = 2.449293046538423 (1.82262e-07% change) linmin: converged after 2 iterations. iteration 795: trace = 2.449293044476432 (8.41872e-08% change) large trace change predicted (1.829e-07%) linmin: converged after 5 iterations. iteration 796: trace = 2.449293039996478 (1.82908e-07% change) linmin: converged after 9 iterations. iteration 797: trace = 2.449293037925708 (8.45456e-08% change) linmin: converged after 4 iterations. iteration 798: trace = 2.449293037131287 (3.24347e-08% change) large trace change predicted (7.79212e-08%) linmin: converged after 5 iterations. iteration 799: trace = 2.44929303522276 (7.79216e-08% change) linmin: converged after 20 iterations. iteration 800: trace = 2.449293033462944 (7.18499e-08% change) linmin: converged after 3 iterations. iteration 801: trace = 2.449293032835254 (2.56274e-08% change) large trace change predicted (1.07504e-07%) linmin: converged after 8 iterations. iteration 802: trace = 2.449293030202147 (1.07505e-07% change) linmin: converged after 3 iterations. iteration 803: trace = 2.449293027923748 (9.30227e-08% change) linmin: converged after 5 iterations. iteration 804: trace = 2.449293025971311 (7.97143e-08% change) linmin: converged after 5 iterations. iteration 805: trace = 2.449293022769327 (1.30731e-07% change) linmin: converged after 4 iterations. iteration 806: trace = 2.449293019561712 (1.30961e-07% change) linmin: converged after 7 iterations. iteration 807: trace = 2.449293017014607 (1.03993e-07% change) linmin: converged after 5 iterations. iteration 808: trace = 2.449293014090054 (1.19404e-07% change) linmin: converged after 6 iterations. iteration 809: trace = 2.449293012516274 (6.42545e-08% change) linmin: converged after 4 iterations. iteration 810: trace = 2.449293010827487 (6.895e-08% change) large trace change predicted (1.60194e-07%) linmin: converged after 4 iterations. iteration 811: trace = 2.449293006903908 (1.60192e-07% change) linmin: converged after 4 iterations. iteration 812: trace = 2.449293003940126 (1.21006e-07% change) linmin: converged after 3 iterations. iteration 813: trace = 2.449293001479817 (1.0045e-07% change) linmin: converged after 7 iterations. iteration 814: trace = 2.449292998911148 (1.04874e-07% change) linmin: converged after 4 iterations. iteration 815: trace = 2.449292996351694 (1.04498e-07% change) linmin: converged after 4 iterations. iteration 816: trace = 2.449292995426855 (3.77594e-08% change) large trace change predicted (9.40181e-08%) linmin: converged after 4 iterations. iteration 817: trace = 2.449292993124086 (9.40177e-08% change) linmin: converged after 4 iterations. iteration 818: trace = 2.44929299144153 (6.86956e-08% change) linmin: converged after 5 iterations. iteration 819: trace = 2.449292990311255 (4.6147e-08% change) linmin: converged after 4 iterations. iteration 820: trace = 2.449292988500333 (7.39365e-08% change) linmin: converged after 4 iterations. iteration 821: trace = 2.449292987523885 (3.98665e-08% change) linmin: converged after 4 iterations. iteration 822: trace = 2.44929298603156 (6.09288e-08% change) large trace change predicted (1.40117e-07%) linmin: converged after 4 iterations. iteration 823: trace = 2.449292982599737 (1.40115e-07% change) linmin: converged after 4 iterations. iteration 824: trace = 2.449292979817991 (1.13573e-07% change) linmin: converged after 7 iterations. iteration 825: trace = 2.449292977920301 (7.74791e-08% change) linmin: converged after 4 iterations. iteration 826: trace = 2.449292975435417 (1.01453e-07% change) linmin: converged after 4 iterations. iteration 827: trace = 2.449292973421372 (8.22296e-08% change) linmin: converged after 4 iterations. iteration 828: trace = 2.449292972862383 (2.28225e-08% change) large trace change predicted (1.16976e-07%) linmin: converged after 4 iterations. iteration 829: trace = 2.449292969997308 (1.16976e-07% change) linmin: converged after 4 iterations. iteration 830: trace = 2.449292968395407 (6.54026e-08% change) linmin: converged after 4 iterations. iteration 831: trace = 2.449292967500876 (3.6522e-08% change) large trace change predicted (9.5843e-08%) linmin: converged after 5 iterations. iteration 832: trace = 2.449292965153405 (9.58428e-08% change) linmin: converged after 4 iterations. iteration 833: trace = 2.449292962615657 (1.03611e-07% change) linmin: converged after 4 iterations. iteration 834: trace = 2.44929296203264 (2.38035e-08% change) large trace change predicted (6.96965e-08%) linmin: converged after 7 iterations. iteration 835: trace = 2.449292960325581 (6.9696e-08% change) linmin: converged after 6 iterations. iteration 836: trace = 2.44929295928797 (4.23637e-08% change) linmin: converged after 6 iterations. iteration 837: trace = 2.449292958928057 (1.46946e-08% change) large trace change predicted (4.0702e-08%) linmin: converged after 4 iterations. iteration 838: trace = 2.44929295793115 (4.07018e-08% change) linmin: converged after 4 iterations. iteration 839: trace = 2.449292955958229 (8.05506e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 840: trace = 2.44929295465049 (5.33925e-08% change) linmin: converged after 4 iterations. iteration 841: trace = 2.449292953515038 (4.63583e-08% change) linmin: converged after 4 iterations. iteration 842: trace = 2.449292952854954 (2.695e-08% change) linmin: converged after 7 iterations. iteration 843: trace = 2.44929295229885 (2.27047e-08% change) large trace change predicted (5.58322e-08%) linmin: converged after 10 iterations. iteration 844: trace = 2.449292950931352 (5.58324e-08% change) linmin: converged after 3 iterations. iteration 845: trace = 2.449292950135085 (3.25101e-08% change) large trace change predicted (6.57819e-08%) linmin: converged after 4 iterations. iteration 846: trace = 2.449292948523883 (6.57823e-08% change) linmin: converged after 4 iterations. iteration 847: trace = 2.449292946327676 (8.9667e-08% change) linmin: converged after 5 iterations. iteration 848: trace = 2.449292945173873 (4.71076e-08% change) linmin: converged after 4 iterations. iteration 849: trace = 2.449292944018419 (4.7175e-08% change) linmin: converged after 4 iterations. iteration 850: trace = 2.449292942266025 (7.15469e-08% change) linmin: converged after 4 iterations. iteration 851: trace = 2.449292941174996 (4.45446e-08% change) linmin: converged after 4 iterations. iteration 852: trace = 2.449292939543849 (6.65966e-08% change) linmin: converged after 4 iterations. iteration 853: trace = 2.449292937512945 (8.2918e-08% change) linmin: converged after 3 iterations. iteration 854: trace = 2.449292936624243 (3.6284e-08% change) linmin: converged after 4 iterations. iteration 855: trace = 2.449292934935619 (6.89434e-08% change) linmin: converged after 10 iterations. iteration 856: trace = 2.449292931759453 (1.29677e-07% change) linmin: converged after 7 iterations. iteration 857: trace = 2.449292930989294 (3.14441e-08% change) linmin: converged after 4 iterations. iteration 858: trace = 2.449292929640858 (5.50541e-08% change) linmin: converged after 24 iterations. iteration 859: trace = 2.449292928348487 (5.27651e-08% change) linmin: converged after 3 iterations. iteration 860: trace = 2.449292927199945 (4.68928e-08% change) linmin: converged after 4 iterations. iteration 861: trace = 2.449292926435607 (3.12065e-08% change) large trace change predicted (7.50339e-08%) linmin: converged after 4 iterations. iteration 862: trace = 2.449292924597804 (7.5034e-08% change) linmin: converged after 4 iterations. iteration 863: trace = 2.449292923990403 (2.4799e-08% change) linmin: converged after 4 iterations. iteration 864: trace = 2.44929292282089 (4.7749e-08% change) linmin: converged after 6 iterations. iteration 865: trace = 2.449292921003394 (7.42049e-08% change) linmin: converged after 6 iterations. iteration 866: trace = 2.449292920324952 (2.76995e-08% change) large trace change predicted (9.31393e-08%) linmin: converged after 3 iterations. iteration 867: trace = 2.44929291804372 (9.31384e-08% change) linmin: converged after 4 iterations. iteration 868: trace = 2.449292915534731 (1.02437e-07% change) linmin: converged after 9 iterations. iteration 869: trace = 2.449292913319555 (9.04414e-08% change) linmin: converged after 22 iterations. iteration 870: trace = 2.449292912766578 (2.2577e-08% change) large trace change predicted (6.02498e-08%) linmin: converged after 4 iterations. iteration 871: trace = 2.449292911290896 (6.02493e-08% change) linmin: converged after 2 iterations. iteration 872: trace = 2.449292909547796 (7.11675e-08% change) linmin: converged after 5 iterations. iteration 873: trace = 2.449292909006778 (2.20888e-08% change) large trace change predicted (9.20944e-08%) linmin: converged after 6 iterations. iteration 874: trace = 2.449292906751115 (9.20944e-08% change) linmin: converged after 4 iterations. iteration 875: trace = 2.449292905226842 (6.22332e-08% change) linmin: converged after 24 iterations. iteration 876: trace = 2.449292904479653 (3.05063e-08% change) large trace change predicted (7.4007e-08%) linmin: converged after 9 iterations. iteration 877: trace = 2.449292902666997 (7.40073e-08% change) linmin: converged after 8 iterations. iteration 878: trace = 2.449292901405321 (5.15118e-08% change) linmin: converged after 5 iterations. iteration 879: trace = 2.449292900943242 (1.88658e-08% change) large trace change predicted (4.08237e-08%) linmin: converged after 4 iterations. iteration 880: trace = 2.449292899943356 (4.08235e-08% change) linmin: converged after 9 iterations. iteration 881: trace = 2.44929289920602 (3.01041e-08% change) linmin: converged after 4 iterations. iteration 882: trace = 2.449292898611719 (2.42642e-08% change) large trace change predicted (6.93477e-08%) linmin: converged after 8 iterations. iteration 883: trace = 2.449292896913227 (6.93462e-08% change) linmin: converged after 10 iterations. iteration 884: trace = 2.449292895096505 (7.41733e-08% change) linmin: converged after 4 iterations. iteration 885: trace = 2.44929289431231 (3.20172e-08% change) large trace change predicted (9.30659e-08%) linmin: converged after 13 iterations. iteration 886: trace = 2.449292892032893 (9.30643e-08% change) linmin: converged after 4 iterations. iteration 887: trace = 2.449292889712336 (9.4744e-08% change) linmin: converged after 5 iterations. iteration 888: trace = 2.449292888601428 (4.53563e-08% change) large trace change predicted (9.08552e-08%) linmin: converged after 4 iterations. iteration 889: trace = 2.449292886376095 (9.08562e-08% change) linmin: converged after 4 iterations. iteration 890: trace = 2.449292883743851 (1.0747e-07% change) linmin: converged after 4 iterations. iteration 891: trace = 2.4492928827882 (3.90174e-08% change) large trace change predicted (8.499e-08%) linmin: converged after 6 iterations. iteration 892: trace = 2.449292880706547 (8.499e-08% change) linmin: converged after 18 iterations. iteration 893: trace = 2.44929287797919 (1.11353e-07% change) linmin: converged after 4 iterations. iteration 894: trace = 2.449292876402472 (6.43744e-08% change) linmin: converged after 4 iterations. iteration 895: trace = 2.449292875078193 (5.40678e-08% change) linmin: converged after 10 iterations. iteration 896: trace = 2.449292873400322 (6.85043e-08% change) linmin: converged after 15 iterations. iteration 897: trace = 2.449292872458452 (3.84547e-08% change) linmin: converged after 4 iterations. iteration 898: trace = 2.449292871884335 (2.34401e-08% change) large trace change predicted (6.83991e-08%) linmin: converged after 7 iterations. iteration 899: trace = 2.449292870209016 (6.84001e-08% change) linmin: converged after 6 iterations. iteration 900: trace = 2.449292869910314 (1.21954e-08% change) large trace change predicted (4.22977e-08%) linmin: converged after 4 iterations. iteration 901: trace = 2.449292868874312 (4.2298e-08% change) linmin: converged after 6 iterations. iteration 902: trace = 2.449292867708782 (4.75864e-08% change) linmin: converged after 11 iterations. iteration 903: trace = 2.449292866768843 (3.83759e-08% change) linmin: converged after 4 iterations. iteration 904: trace = 2.449292865434658 (5.44723e-08% change) large trace change predicted (1.1499e-07%) linmin: converged after 4 iterations. iteration 905: trace = 2.449292862618288 (1.14987e-07% change) linmin: converged after 4 iterations. iteration 906: trace = 2.449292861868932 (3.05948e-08% change) large trace change predicted (1.02114e-07%) linmin: converged after 4 iterations. iteration 907: trace = 2.449292859367888 (1.02113e-07% change) linmin: converged after 4 iterations. iteration 908: trace = 2.449292857670564 (6.92985e-08% change) linmin: converged after 3 iterations. iteration 909: trace = 2.449292856927011 (3.03579e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 910: trace = 2.449292856278829 (2.6464e-08% change) large trace change predicted (5.398e-08%) linmin: converged after 5 iterations. iteration 911: trace = 2.449292854956693 (5.39803e-08% change) linmin: converged after 13 iterations. iteration 912: trace = 2.449292852581389 (9.69792e-08% change) linmin: converged after 4 iterations. iteration 913: trace = 2.449292851930219 (2.65861e-08% change) large trace change predicted (9.1458e-08%) linmin: converged after 6 iterations. iteration 914: trace = 2.449292849690121 (9.14589e-08% change) linmin: converged after 4 iterations. iteration 915: trace = 2.44929284842816 (5.15235e-08% change) linmin: converged after 4 iterations. iteration 916: trace = 2.449292847932959 (2.02181e-08% change) large trace change predicted (4.66755e-08%) linmin: converged after 4 iterations. iteration 917: trace = 2.449292846789735 (4.66756e-08% change) linmin: converged after 4 iterations. iteration 918: trace = 2.449292845692411 (4.48017e-08% change) linmin: converged after 4 iterations. iteration 919: trace = 2.449292845462807 (9.37431e-09% change) large trace change predicted (3.49948e-08%) linmin: converged after 11 iterations. iteration 920: trace = 2.449292844605679 (3.49949e-08% change) linmin: converged after 4 iterations. iteration 921: trace = 2.449292843708641 (3.66244e-08% change) linmin: converged after 5 iterations. iteration 922: trace = 2.449292843406536 (1.23344e-08% change) large trace change predicted (5.16749e-08%) linmin: converged after 4 iterations. iteration 923: trace = 2.449292842140873 (5.16746e-08% change) linmin: converged after 6 iterations. iteration 924: trace = 2.449292840971645 (4.77373e-08% change) linmin: converged after 4 iterations. iteration 925: trace = 2.449292840565557 (1.65798e-08% change) large trace change predicted (7.5756e-08%) linmin: converged after 4 iterations. iteration 926: trace = 2.449292838710088 (7.57553e-08% change) linmin: converged after 4 iterations. iteration 927: trace = 2.449292837441516 (5.17934e-08% change) linmin: converged after 8 iterations. iteration 928: trace = 2.449292836868289 (2.34038e-08% change) large trace change predicted (6.82913e-08%) linmin: converged after 4 iterations. iteration 929: trace = 2.449292835195623 (6.82918e-08% change) linmin: converged after 3 iterations. iteration 930: trace = 2.449292834375803 (3.34717e-08% change) linmin: converged after 4 iterations. iteration 931: trace = 2.449292833584306 (3.23153e-08% change) linmin: converged after 6 iterations. iteration 932: trace = 2.449292832381584 (4.91049e-08% change) linmin: converged after 11 iterations. iteration 933: trace = 2.44929283087548 (6.14914e-08% change) linmin: converged after 4 iterations. iteration 934: trace = 2.449292830551072 (1.3245e-08% change) large trace change predicted (5.69477e-08%) linmin: converged after 5 iterations. iteration 935: trace = 2.449292829156207 (5.69497e-08% change) linmin: converged after 10 iterations. iteration 936: trace = 2.449292828202373 (3.89433e-08% change) linmin: converged after 4 iterations. iteration 937: trace = 2.449292827911281 (1.18848e-08% change) linmin: converged after 4 iterations. iteration 938: trace = 2.449292827564565 (1.41558e-08% change) linmin: converged after 16 iterations. iteration 939: trace = 2.449292826914902 (2.65245e-08% change) linmin: converged after 4 iterations. iteration 940: trace = 2.44929282650054 (1.69176e-08% change) linmin: converged after 4 iterations. iteration 941: trace = 2.449292826289843 (8.60235e-09% change) large trace change predicted (2.08134e-08%) linmin: converged after 4 iterations. iteration 942: trace = 2.449292825780073 (2.0813e-08% change) linmin: converged after 6 iterations. iteration 943: trace = 2.449292825202149 (2.35955e-08% change) linmin: converged after 3 iterations. iteration 944: trace = 2.44929282456402 (2.60536e-08% change) linmin: converged after 13 iterations. iteration 945: trace = 2.449292823535906 (4.1976e-08% change) linmin: converged after 7 iterations. iteration 946: trace = 2.449292822929104 (2.47746e-08% change) linmin: converged after 6 iterations. iteration 947: trace = 2.449292822514425 (1.69305e-08% change) linmin: converged after 5 iterations. iteration 948: trace = 2.449292821895935 (2.52518e-08% change) linmin: converged after 3 iterations. iteration 949: trace = 2.449292821057721 (3.42227e-08% change) linmin: converged after 3 iterations. iteration 950: trace = 2.449292820842746 (8.77699e-09% change) large trace change predicted (4.15999e-08%) linmin: converged after 6 iterations. iteration 951: trace = 2.449292819823847 (4.15997e-08% change) linmin: converged after 8 iterations. iteration 952: trace = 2.449292819014116 (3.30598e-08% change) linmin: converged after 4 iterations. iteration 953: trace = 2.449292818664344 (1.42805e-08% change) linmin: converged after 11 iterations. iteration 954: trace = 2.449292817984033 (2.77758e-08% change) linmin: converged after 22 iterations. iteration 955: trace = 2.449292817223204 (3.10632e-08% change) linmin: converged after 7 iterations. iteration 956: trace = 2.449292816973996 (1.01747e-08% change) linmin: converged after 6 iterations. iteration 957: trace = 2.449292816478342 (2.02366e-08% change) linmin: converged after 7 iterations. iteration 958: trace = 2.449292816002911 (1.94109e-08% change) linmin: converged after 5 iterations. iteration 959: trace = 2.449292815800362 (8.26968e-09% change) large trace change predicted (2.39017e-08%) linmin: converged after 9 iterations. iteration 960: trace = 2.449292815214948 (2.39014e-08% change) linmin: converged after 2 iterations. iteration 961: trace = 2.449292814630601 (2.38578e-08% change) linmin: converged after 26 iterations. iteration 962: trace = 2.449292814402248 (9.32324e-09% change) large trace change predicted (3.18748e-08%) linmin: converged after 4 iterations. iteration 963: trace = 2.44929281362153 (3.18752e-08% change) linmin: converged after 8 iterations. iteration 964: trace = 2.449292813002706 (2.52654e-08% change) linmin: converged after 6 iterations. iteration 965: trace = 2.449292812692247 (1.26755e-08% change) large trace change predicted (2.87566e-08%) linmin: converged after 5 iterations. iteration 966: trace = 2.449292811987919 (2.87564e-08% change) linmin: converged after 4 iterations. iteration 967: trace = 2.449292811505245 (1.97067e-08% change) linmin: converged after 4 iterations. iteration 968: trace = 2.449292811324684 (7.37198e-09% change) large trace change predicted (2.28869e-08%) linmin: converged after 4 iterations. iteration 969: trace = 2.449292810764121 (2.28867e-08% change) linmin: converged after 6 iterations. iteration 970: trace = 2.449292810277066 (1.98855e-08% change) linmin: converged after 9 iterations. iteration 971: trace = 2.449292810024069 (1.03294e-08% change) large trace change predicted (2.68452e-08%) linmin: converged after 9 iterations. iteration 972: trace = 2.449292809366556 (2.6845e-08% change) linmin: converged after 4 iterations. iteration 973: trace = 2.449292808704471 (2.70317e-08% change) linmin: converged after 4 iterations. iteration 974: trace = 2.449292808386035 (1.30011e-08% change) linmin: converged after 4 iterations. iteration 975: trace = 2.449292808241204 (5.91317e-09% change) large trace change predicted (1.26735e-08%) linmin: converged after 4 iterations. iteration 976: trace = 2.449292807930795 (1.26734e-08% change) linmin: converged after 3 iterations. iteration 977: trace = 2.44929280770357 (9.27716e-09% change) linmin: converged after 4 iterations. iteration 978: trace = 2.449292807584794 (4.84942e-09% change) large trace change predicted (4.54309e-08%) linmin: converged after 6 iterations. iteration 979: trace = 2.449292806472067 (4.54305e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.449292805700529 (3.15004e-08% change) linmin: converged after 24 iterations. iteration 981: trace = 2.449292805443888 (1.04782e-08% change) linmin: converged after 23 iterations. iteration 982: trace = 2.449292805135789 (1.25791e-08% change) linmin: converged after 21 iterations. iteration 983: trace = 2.449292805071674 (2.61771e-09% change) large trace change predicted (9.24495e-09%) linmin: converged after 4 iterations. iteration 984: trace = 2.449292804845237 (9.24496e-09% change) linmin: converged after 20 iterations. iteration 985: trace = 2.44929280449284 (1.43877e-08% change) linmin: converged after 4 iterations. iteration 986: trace = 2.449292804351561 (5.76815e-09% change) large trace change predicted (1.91876e-08%) linmin: converged after 4 iterations. iteration 987: trace = 2.449292803881601 (1.91876e-08% change) linmin: converged after 4 iterations. iteration 988: trace = 2.449292803252586 (2.56815e-08% change) linmin: converged after 4 iterations. iteration 989: trace = 2.449292803081222 (6.99646e-09% change) large trace change predicted (1.61435e-08%) linmin: converged after 5 iterations. iteration 990: trace = 2.449292802685819 (1.61436e-08% change) linmin: converged after 23 iterations. iteration 991: trace = 2.449292802303825 (1.55961e-08% change) linmin: converged after 4 iterations. iteration 992: trace = 2.44929280213033 (7.08345e-09% change) large trace change predicted (1.81802e-08%) linmin: converged after 21 iterations. iteration 993: trace = 2.449292801685043 (1.81803e-08% change) linmin: converged after 3 iterations. iteration 994: trace = 2.449292801091886 (2.42175e-08% change) linmin: converged after 21 iterations. iteration 995: trace = 2.449292800863905 (9.30802e-09% change) linmin: converged after 15 iterations. iteration 996: trace = 2.449292800423824 (1.79677e-08% change) linmin: converged after 9 iterations. iteration 997: trace = 2.449292799911036 (2.09362e-08% change) linmin: converged after 8 iterations. iteration 998: trace = 2.449292799703931 (8.45569e-09% change) large trace change predicted (1.72627e-08%) linmin: converged after 4 iterations. iteration 999: trace = 2.449292799281123 (1.72625e-08% change) linmin: converged after 4 iterations. iteration 1000: trace = 2.449292799022348 (1.05653e-08% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.449292798858 (6.71004e-09% change) large trace change predicted (1.49329e-08%) linmin: converged after 6 iterations. iteration 1002: trace = 2.449292798492253 (1.49328e-08% change) linmin: converged after 6 iterations. iteration 1003: trace = 2.449292798037826 (1.85534e-08% change) linmin: converged after 4 iterations. iteration 1004: trace = 2.449292797829743 (8.49563e-09% change) large trace change predicted (1.76397e-08%) linmin: converged after 4 iterations. iteration 1005: trace = 2.449292797397681 (1.76403e-08% change) linmin: converged after 3 iterations. iteration 1006: trace = 2.449292796974526 (1.72766e-08% change) linmin: converged after 4 iterations. iteration 1007: trace = 2.449292796691465 (1.15569e-08% change) linmin: converged after 10 iterations. iteration 1008: trace = 2.4492927963013 (1.59297e-08% change) linmin: converged after 19 iterations. iteration 1009: trace = 2.449292795665051 (2.59768e-08% change) linmin: converged after 10 iterations. iteration 1010: trace = 2.44929279544082 (9.15496e-09% change) linmin: converged after 7 iterations. iteration 1011: trace = 2.449292795117284 (1.32094e-08% change) linmin: converged after 7 iterations. iteration 1012: trace = 2.449292794676398 (1.80005e-08% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.449292794284107 (1.60165e-08% change) linmin: converged after 6 iterations. iteration 1014: trace = 2.449292794144128 (5.71505e-09% change) large trace change predicted (2.32685e-08%) linmin: converged after 4 iterations. iteration 1015: trace = 2.449292793574208 (2.32688e-08% change) linmin: converged after 5 iterations. iteration 1016: trace = 2.449292793071574 (2.05216e-08% change) linmin: converged after 4 iterations. iteration 1017: trace = 2.449292792894793 (7.21761e-09% change) linmin: converged after 4 iterations. iteration 1018: trace = 2.44929279263725 (1.0515e-08% change) linmin: converged after 24 iterations. iteration 1019: trace = 2.449292792296201 (1.39244e-08% change) linmin: converged after 4 iterations. iteration 1020: trace = 2.449292792206861 (3.64759e-09% change) large trace change predicted (1.09011e-08%) linmin: converged after 6 iterations. iteration 1021: trace = 2.449292791939856 (1.09013e-08% change) linmin: converged after 24 iterations. iteration 1022: trace = 2.449292791707007 (9.50676e-09% change) linmin: converged after 4 iterations. iteration 1023: trace = 2.449292791598708 (4.42167e-09% change) large trace change predicted (1.66631e-08%) linmin: converged after 4 iterations. iteration 1024: trace = 2.449292791190585 (1.66629e-08% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.449292790606012 (2.3867e-08% change) linmin: converged after 22 iterations. iteration 1026: trace = 2.44929279041523 (7.78927e-09% change) large trace change predicted (1.69992e-08%) linmin: converged after 8 iterations. iteration 1027: trace = 2.449292789998871 (1.69992e-08% change) linmin: converged after 4 iterations. iteration 1028: trace = 2.449292789344733 (2.67072e-08% change) linmin: converged after 21 iterations. iteration 1029: trace = 2.449292789186057 (6.47847e-09% change) large trace change predicted (2.37272e-08%) linmin: converged after 7 iterations. iteration 1030: trace = 2.449292788604899 (2.37276e-08% change) linmin: converged after 4 iterations. iteration 1031: trace = 2.449292787931201 (2.75058e-08% change) linmin: converged after 4 iterations. iteration 1032: trace = 2.449292787757761 (7.08122e-09% change) large trace change predicted (2.40586e-08%) linmin: converged after 11 iterations. iteration 1033: trace = 2.449292787168489 (2.40589e-08% change) linmin: converged after 4 iterations. iteration 1034: trace = 2.449292786581789 (2.39539e-08% change) linmin: converged after 4 iterations. iteration 1035: trace = 2.449292786245429 (1.37329e-08% change) linmin: converged after 4 iterations. iteration 1036: trace = 2.449292785949094 (1.20988e-08% change) linmin: converged after 6 iterations. iteration 1037: trace = 2.449292785483555 (1.90071e-08% change) linmin: converged after 4 iterations. iteration 1038: trace = 2.449292785169987 (1.28024e-08% change) linmin: converged after 11 iterations. iteration 1039: trace = 2.449292785059072 (4.52844e-09% change) large trace change predicted (1.40747e-08%) linmin: converged after 11 iterations. iteration 1040: trace = 2.449292784714335 (1.40749e-08% change) linmin: converged after 7 iterations. iteration 1041: trace = 2.449292784431609 (1.15432e-08% change) linmin: converged after 4 iterations. iteration 1042: trace = 2.449292784287273 (5.89297e-09% change) large trace change predicted (1.42778e-08%) linmin: converged after 14 iterations. iteration 1043: trace = 2.44929278393757 (1.42777e-08% change) linmin: converged after 6 iterations. iteration 1044: trace = 2.44929278371596 (9.04789e-09% change) linmin: converged after 4 iterations. iteration 1045: trace = 2.449292783503174 (8.68766e-09% change) large trace change predicted (2.8922e-08%) linmin: converged after 4 iterations. iteration 1046: trace = 2.449292782794789 (2.8922e-08% change) linmin: converged after 4 iterations. iteration 1047: trace = 2.449292782168784 (2.55586e-08% change) linmin: converged after 5 iterations. iteration 1048: trace = 2.449292781989508 (7.31951e-09% change) linmin: converged after 9 iterations. iteration 1049: trace = 2.449292781710323 (1.13986e-08% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1050: trace = 2.449292781464514 (1.00359e-08% change) linmin: converged after 18 iterations. iteration 1051: trace = 2.449292781310538 (6.28657e-09% change) large trace change predicted (2.38515e-08%) linmin: converged after 7 iterations. iteration 1052: trace = 2.449292780726335 (2.38519e-08% change) linmin: converged after 29 iterations. iteration 1053: trace = 2.44929278035676 (1.50891e-08% change) linmin: converged after 5 iterations. iteration 1054: trace = 2.449292780043047 (1.28083e-08% change) linmin: converged after 4 iterations. iteration 1055: trace = 2.449292779729284 (1.28103e-08% change) linmin: converged after 4 iterations. iteration 1056: trace = 2.449292779530732 (8.10651e-09% change) linmin: converged after 4 iterations. iteration 1057: trace = 2.449292779397883 (5.42397e-09% change) large trace change predicted (1.29386e-08%) linmin: converged after 6 iterations. iteration 1058: trace = 2.449292779080986 (1.29383e-08% change) linmin: converged after 4 iterations. iteration 1059: trace = 2.44929277899573 (3.48083e-09% change) large trace change predicted (9.13255e-09%) linmin: converged after 5 iterations. iteration 1060: trace = 2.449292778772049 (9.13248e-09% change) linmin: converged after 21 iterations. iteration 1061: trace = 2.449292778556726 (8.79124e-09% change) linmin: converged after 12 iterations. iteration 1062: trace = 2.449292778459061 (3.98746e-09% change) large trace change predicted (1.27816e-08%) linmin: converged after 21 iterations. iteration 1063: trace = 2.449292778146003 (1.27816e-08% change) linmin: converged after 4 iterations. iteration 1064: trace = 2.449292777777095 (1.50618e-08% change) linmin: converged after 8 iterations. iteration 1065: trace = 2.449292777587543 (7.73905e-09% change) linmin: converged after 6 iterations. iteration 1066: trace = 2.449292777255399 (1.35609e-08% change) linmin: converged after 4 iterations. iteration 1067: trace = 2.449292776886542 (1.50597e-08% change) linmin: converged after 4 iterations. iteration 1068: trace = 2.449292776687106 (8.14256e-09% change) linmin: converged after 4 iterations. iteration 1069: trace = 2.44929277640157 (1.16579e-08% change) linmin: converged after 4 iterations. iteration 1070: trace = 2.449292776049902 (1.43579e-08% change) linmin: converged after 4 iterations. iteration 1071: trace = 2.449292775950916 (4.04142e-09% change) large trace change predicted (1.28658e-08%) linmin: converged after 3 iterations. iteration 1072: trace = 2.449292775635789 (1.2866e-08% change) linmin: converged after 10 iterations. iteration 1073: trace = 2.449292775336867 (1.22044e-08% change) linmin: converged after 10 iterations. iteration 1074: trace = 2.449292775038355 (1.21877e-08% change) linmin: converged after 12 iterations. iteration 1075: trace = 2.449292774935724 (4.1902e-09% change) large trace change predicted (9.52646e-09%) linmin: converged after 3 iterations. iteration 1076: trace = 2.449292774702378 (9.5271e-09% change) linmin: converged after 4 iterations. iteration 1077: trace = 2.449292774586314 (4.73866e-09% change) linmin: converged after 8 iterations. iteration 1078: trace = 2.449292774536247 (2.04413e-09% change) large trace change predicted (5.56416e-09%) linmin: converged after 19 iterations. iteration 1079: trace = 2.449292774399959 (5.56441e-09% change) linmin: converged after 4 iterations. iteration 1080: trace = 2.449292774273631 (5.15773e-09% change) linmin: converged after 4 iterations. iteration 1081: trace = 2.449292774218573 (2.2479e-09% change) large trace change predicted (4.88396e-09%) linmin: converged after 4 iterations. iteration 1082: trace = 2.449292774098958 (4.88365e-09% change) large trace change predicted (1.14573e-08%) linmin: converged after 4 iterations. iteration 1083: trace = 2.449292773818338 (1.14572e-08% change) linmin: converged after 4 iterations. iteration 1084: trace = 2.44929277375485 (2.59211e-09% change) large trace change predicted (1.11436e-08%) linmin: converged after 4 iterations. iteration 1085: trace = 2.449292773481919 (1.11432e-08% change) linmin: converged after 3 iterations. iteration 1086: trace = 2.449292773312915 (6.90013e-09% change) linmin: converged after 4 iterations. iteration 1087: trace = 2.449292773256855 (2.28881e-09% change) large trace change predicted (6.97889e-09%) linmin: converged after 4 iterations. iteration 1088: trace = 2.449292773085932 (6.97849e-09% change) linmin: converged after 2 iterations. iteration 1089: trace = 2.449292772916998 (6.89725e-09% change) linmin: converged after 5 iterations. iteration 1090: trace = 2.449292772848868 (2.78162e-09% change) large trace change predicted (1.04594e-08%) linmin: converged after 6 iterations. iteration 1091: trace = 2.449292772592671 (1.04601e-08% change) linmin: converged after 7 iterations. iteration 1092: trace = 2.449292772360666 (9.47229e-09% change) linmin: converged after 3 iterations. iteration 1093: trace = 2.44929277221221 (6.06117e-09% change) linmin: converged after 2 iterations. iteration 1094: trace = 2.449292772128481 (3.41853e-09% change) large trace change predicted (8.98442e-09%) linmin: converged after 4 iterations. iteration 1095: trace = 2.449292771908435 (8.98405e-09% change) linmin: converged after 9 iterations. iteration 1096: trace = 2.449292771867717 (1.66242e-09% change) large trace change predicted (5.77206e-09%) linmin: converged after 4 iterations. iteration 1097: trace = 2.449292771726338 (5.77225e-09% change) linmin: converged after 8 iterations. iteration 1098: trace = 2.449292771605541 (4.93188e-09% change) linmin: converged after 4 iterations. iteration 1099: trace = 2.449292771541786 (2.60301e-09% change) linmin: converged after 3 iterations. iteration 1100: trace = 2.449292771443278 (4.02191e-09% change) large trace change predicted (8.14952e-09%) linmin: converged after 4 iterations. iteration 1101: trace = 2.449292771243674 (8.14945e-09% change) linmin: converged after 4 iterations. iteration 1102: trace = 2.449292771192564 (2.08672e-09% change) large trace change predicted (6.53784e-09%) linmin: converged after 3 iterations. iteration 1103: trace = 2.449292771032436 (6.53772e-09% change) linmin: converged after 7 iterations. iteration 1104: trace = 2.449292770866455 (6.77671e-09% change) linmin: converged after 3 iterations. iteration 1105: trace = 2.449292770801909 (2.6353e-09% change) large trace change predicted (6.5226e-09%) linmin: converged after 5 iterations. iteration 1106: trace = 2.449292770642146 (6.52282e-09% change) linmin: converged after 4 iterations. iteration 1107: trace = 2.449292770516709 (5.12136e-09% change) linmin: converged after 4 iterations. iteration 1108: trace = 2.449292770393185 (5.04325e-09% change) linmin: converged after 3 iterations. iteration 1109: trace = 2.44929277033407 (2.41355e-09% change) large trace change predicted (5.24737e-09%) linmin: converged after 4 iterations. iteration 1110: trace = 2.449292770205542 (5.24757e-09% change) linmin: converged after 4 iterations. iteration 1111: trace = 2.449292770020741 (7.54506e-09% change) linmin: converged after 4 iterations. iteration 1112: trace = 2.449292769969011 (2.11203e-09% change) large trace change predicted (6.36589e-09%) linmin: converged after 3 iterations. iteration 1113: trace = 2.4492927698131 (6.36558e-09% change) linmin: converged after 24 iterations. iteration 1114: trace = 2.449292769728113 (3.46985e-09% change) linmin: converged after 4 iterations. iteration 1115: trace = 2.449292769692272 (1.46331e-09% change) linmin: converged after 4 iterations. iteration 1116: trace = 2.449292769633385 (2.40427e-09% change) linmin: converged after 3 iterations. iteration 1117: trace = 2.449292769564616 (2.80769e-09% change) linmin: converged after 3 iterations. iteration 1118: trace = 2.449292769532916 (1.29425e-09% change) large trace change predicted (8.97108e-09%) linmin: converged after 7 iterations. iteration 1119: trace = 2.449292769313199 (8.97065e-09% change) resetting CG direction... linmin: converged after 8 iterations. iteration 1120: trace = 2.449292769116125 (8.04614e-09% change) linmin: converged after 9 iterations. iteration 1121: trace = 2.449292769090476 (1.04721e-09% change) large trace change predicted (3.21043e-09%) linmin: converged after 14 iterations. iteration 1122: trace = 2.449292769011837 (3.21069e-09% change) linmin: converged after 4 iterations. iteration 1123: trace = 2.449292768959157 (2.15079e-09% change) linmin: converged after 3 iterations. iteration 1124: trace = 2.449292768928804 (1.23928e-09% change) large trace change predicted (3.28868e-09%) linmin: converged after 4 iterations. iteration 1125: trace = 2.449292768848264 (3.2883e-09% change) linmin: converged after 4 iterations. iteration 1126: trace = 2.449292768744534 (4.2351e-09% change) linmin: converged after 18 iterations. iteration 1127: trace = 2.449292768696526 (1.96007e-09% change) large trace change predicted (7.51974e-09%) linmin: converged after 5 iterations. iteration 1128: trace = 2.449292768512353 (7.51944e-09% change) linmin: converged after 4 iterations. iteration 1129: trace = 2.449292768445607 (2.72512e-09% change) linmin: converged after 3 iterations. iteration 1130: trace = 2.449292768379458 (2.70075e-09% change) linmin: converged after 18 iterations. iteration 1131: trace = 2.449292768260353 (4.86282e-09% change) linmin: converged after 3 iterations. iteration 1132: trace = 2.44929276819374 (2.71968e-09% change) linmin: converged after 7 iterations. iteration 1133: trace = 2.449292768131219 (2.55262e-09% change) large trace change predicted (6.14611e-09%) linmin: converged after 7 iterations. iteration 1134: trace = 2.449292767980687 (6.14594e-09% change) linmin: converged after 2 iterations. iteration 1135: trace = 2.449292767912582 (2.7806e-09% change) linmin: converged after 20 iterations. iteration 1136: trace = 2.449292767821423 (3.72184e-09% change) linmin: converged after 4 iterations. iteration 1137: trace = 2.44929276769881 (5.00606e-09% change) linmin: converged after 4 iterations. iteration 1138: trace = 2.449292767587213 (4.55629e-09% change) linmin: converged after 15 iterations. iteration 1139: trace = 2.449292767526962 (2.45995e-09% change) linmin: converged after 10 iterations. iteration 1140: trace = 2.449292767438307 (3.61959e-09% change) linmin: converged after 4 iterations. iteration 1141: trace = 2.44929276738859 (2.02987e-09% change) linmin: converged after 14 iterations. iteration 1142: trace = 2.449292767326253 (2.54508e-09% change) linmin: converged after 4 iterations. iteration 1143: trace = 2.449292767218916 (4.3824e-09% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.449292767145983 (2.97773e-09% change) linmin: converged after 4 iterations. iteration 1145: trace = 2.449292767057181 (3.62561e-09% change) linmin: converged after 7 iterations. iteration 1146: trace = 2.449292766943895 (4.62523e-09% change) linmin: converged after 2 iterations. iteration 1147: trace = 2.4492927668069 (5.59324e-09% change) linmin: converged after 4 iterations. iteration 1148: trace = 2.449292766761554 (1.85141e-09% change) large trace change predicted (6.23051e-09%) linmin: converged after 4 iterations. iteration 1149: trace = 2.449292766608949 (6.23058e-09% change) linmin: converged after 5 iterations. iteration 1150: trace = 2.449292766493833 (4.69998e-09% change) linmin: converged after 4 iterations. iteration 1151: trace = 2.449292766452789 (1.67573e-09% change) large trace change predicted (3.91221e-09%) linmin: converged after 5 iterations. iteration 1152: trace = 2.449292766356963 (3.91238e-09% change) linmin: converged after 4 iterations. iteration 1153: trace = 2.449292766253342 (4.23065e-09% change) linmin: converged after 7 iterations. iteration 1154: trace = 2.449292766106631 (5.98994e-09% change) linmin: converged after 12 iterations. iteration 1155: trace = 2.449292766072387 (1.39812e-09% change) large trace change predicted (4.98572e-09%) linmin: converged after 4 iterations. iteration 1156: trace = 2.449292765950273 (4.9857e-09% change) linmin: converged after 12 iterations. iteration 1157: trace = 2.449292765862892 (3.56759e-09% change) linmin: converged after 16 iterations. iteration 1158: trace = 2.449292765802173 (2.47902e-09% change) linmin: converged after 5 iterations. iteration 1159: trace = 2.44929276575234 (2.03459e-09% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.44929276567549 (3.13764e-09% change) linmin: converged after 14 iterations. iteration 1161: trace = 2.449292765649628 (1.05593e-09% change) linmin: converged after 3 iterations. iteration 1162: trace = 2.449292765601971 (1.94571e-09% change) large trace change predicted (4.27709e-09%) linmin: converged after 6 iterations. iteration 1163: trace = 2.449292765497212 (4.27712e-09% change) linmin: converged after 2 iterations. iteration 1164: trace = 2.449292765467283 (1.22194e-09% change) large trace change predicted (6.12344e-09%) linmin: converged after 6 iterations. iteration 1165: trace = 2.449292765317287 (6.12407e-09% change) linmin: converged after 4 iterations. iteration 1166: trace = 2.449292765196123 (4.94688e-09% change) linmin: converged after 4 iterations. iteration 1167: trace = 2.449292765119525 (3.12735e-09% change) linmin: converged after 6 iterations. iteration 1168: trace = 2.449292764992895 (5.17006e-09% change) linmin: converged after 10 iterations. iteration 1169: trace = 2.449292764853954 (5.67273e-09% change) linmin: converged after 21 iterations. iteration 1170: trace = 2.449292764808422 (1.85897e-09% change) large trace change predicted (6.71906e-09%) linmin: converged after 18 iterations. iteration 1171: trace = 2.449292764643854 (6.71902e-09% change) linmin: converged after 4 iterations. iteration 1172: trace = 2.449292764513069 (5.33971e-09% change) linmin: converged after 5 iterations. iteration 1173: trace = 2.44929276446168 (2.09808e-09% change) large trace change predicted (5.93983e-09%) linmin: converged after 4 iterations. iteration 1174: trace = 2.4492927643162 (5.93968e-09% change) linmin: converged after 4 iterations. iteration 1175: trace = 2.44929276417703 (5.68207e-09% change) linmin: converged after 3 iterations. iteration 1176: trace = 2.449292764136425 (1.65784e-09% change) large trace change predicted (4.24363e-09%) linmin: converged after 12 iterations. iteration 1177: trace = 2.449292764032481 (4.24384e-09% change) linmin: converged after 4 iterations. iteration 1178: trace = 2.449292763943969 (3.61377e-09% change) linmin: converged after 4 iterations. iteration 1179: trace = 2.449292763874021 (2.85583e-09% change) linmin: converged after 4 iterations. iteration 1180: trace = 2.449292763831802 (1.72373e-09% change) large trace change predicted (4.16161e-09%) linmin: converged after 3 iterations. iteration 1181: trace = 2.449292763729867 (4.16181e-09% change) linmin: converged after 18 iterations. iteration 1182: trace = 2.449292763656081 (3.01254e-09% change) linmin: converged after 12 iterations. iteration 1183: trace = 2.449292763619634 (1.48806e-09% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.449292763552323 (2.74818e-09% change) large trace change predicted (6.32621e-09%) linmin: converged after 4 iterations. iteration 1185: trace = 2.449292763397376 (6.3262e-09% change) linmin: converged after 17 iterations. iteration 1186: trace = 2.449292763345709 (2.10949e-09% change) large trace change predicted (6.23507e-09%) linmin: converged after 4 iterations. iteration 1187: trace = 2.449292763192984 (6.23545e-09% change) linmin: converged after 3 iterations. iteration 1188: trace = 2.449292763108067 (3.467e-09% change) linmin: converged after 15 iterations. iteration 1189: trace = 2.449292763066585 (1.69363e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1190: trace = 2.44929276302785 (1.58147e-09% change) linmin: converged after 4 iterations. iteration 1191: trace = 2.449292762954532 (2.99345e-09% change) linmin: converged after 8 iterations. iteration 1192: trace = 2.449292762823338 (5.35643e-09% change) linmin: converged after 4 iterations. iteration 1193: trace = 2.449292762782595 (1.66344e-09% change) large trace change predicted (5.9152e-09%) linmin: converged after 4 iterations. iteration 1194: trace = 2.449292762637706 (5.91556e-09% change) linmin: converged after 15 iterations. iteration 1195: trace = 2.449292762574788 (2.56879e-09% change) linmin: converged after 4 iterations. iteration 1196: trace = 2.449292762539059 (1.45877e-09% change) linmin: converged after 12 iterations. iteration 1197: trace = 2.449292762477241 (2.52392e-09% change) linmin: converged after 4 iterations. iteration 1198: trace = 2.449292762406686 (2.88063e-09% change) linmin: converged after 17 iterations. iteration 1199: trace = 2.449292762389285 (7.1044e-10% change) large trace change predicted (2.95869e-09%) linmin: converged after 12 iterations. iteration 1200: trace = 2.449292762316817 (2.95871e-09% change) linmin: converged after 15 iterations. iteration 1201: trace = 2.449292762288863 (1.14131e-09% change) linmin: converged after 4 iterations. iteration 1202: trace = 2.449292762238315 (2.0638e-09% change) linmin: converged after 4 iterations. iteration 1203: trace = 2.449292762148989 (3.64703e-09% change) linmin: converged after 5 iterations. iteration 1204: trace = 2.44929276205997 (3.63448e-09% change) linmin: converged after 4 iterations. iteration 1205: trace = 2.449292762027752 (1.31539e-09% change) large trace change predicted (4.37556e-09%) linmin: converged after 5 iterations. iteration 1206: trace = 2.44929276192059 (4.37523e-09% change) linmin: converged after 2 iterations. iteration 1207: trace = 2.44929276184709 (3.00086e-09% change) linmin: converged after 5 iterations. iteration 1208: trace = 2.449292761815558 (1.2874e-09% change) large trace change predicted (4.12409e-09%) linmin: converged after 7 iterations. iteration 1209: trace = 2.449292761714545 (4.12415e-09% change) linmin: converged after 4 iterations. iteration 1210: trace = 2.449292761642062 (2.95936e-09% change) linmin: converged after 4 iterations. iteration 1211: trace = 2.449292761604079 (1.55077e-09% change) large trace change predicted (3.5638e-09%) linmin: converged after 4 iterations. iteration 1212: trace = 2.44929276151679 (3.56384e-09% change) linmin: converged after 5 iterations. iteration 1213: trace = 2.449292761445411 (2.91428e-09% change) linmin: converged after 5 iterations. iteration 1214: trace = 2.449292761423596 (8.90665e-10% change) large trace change predicted (3.34114e-09%) linmin: converged after 9 iterations. iteration 1215: trace = 2.449292761341764 (3.34102e-09% change) linmin: converged after 16 iterations. iteration 1216: trace = 2.449292761284666 (2.3312e-09% change) linmin: converged after 6 iterations. iteration 1217: trace = 2.449292761270342 (5.84844e-10% change) linmin: converged after 6 iterations. iteration 1218: trace = 2.449292761247998 (9.12241e-10% change) linmin: converged after 7 iterations. iteration 1219: trace = 2.449292761205331 (1.74204e-09% change) linmin: converged after 6 iterations. iteration 1220: trace = 2.449292761191983 (5.44955e-10% change) large trace change predicted (1.17365e-09%) linmin: converged after 4 iterations. iteration 1221: trace = 2.449292761163237 (1.17366e-09% change) linmin: converged after 5 iterations. iteration 1222: trace = 2.449292761126339 (1.50646e-09% change) linmin: converged after 4 iterations. iteration 1223: trace = 2.449292761053322 (2.98113e-09% change) linmin: converged after 3 iterations. iteration 1224: trace = 2.449292761034933 (7.508e-10% change) large trace change predicted (2.68483e-09%) linmin: converged after 4 iterations. iteration 1225: trace = 2.449292760969179 (2.68463e-09% change) linmin: converged after 4 iterations. iteration 1226: trace = 2.449292760922671 (1.8988e-09% change) linmin: converged after 3 iterations. iteration 1227: trace = 2.449292760889688 (1.34665e-09% change) linmin: converged after 4 iterations. iteration 1228: trace = 2.449292760870321 (7.90707e-10% change) large trace change predicted (1.94572e-09%) linmin: converged after 5 iterations. iteration 1229: trace = 2.449292760822662 (1.94584e-09% change) linmin: converged after 17 iterations. iteration 1230: trace = 2.449292760785737 (1.50758e-09% change) linmin: converged after 6 iterations. iteration 1231: trace = 2.449292760743657 (1.71803e-09% change) linmin: converged after 5 iterations. iteration 1232: trace = 2.449292760683534 (2.45471e-09% change) linmin: converged after 16 iterations. iteration 1233: trace = 2.449292760635587 (1.95758e-09% change) linmin: converged after 4 iterations. iteration 1234: trace = 2.449292760622653 (5.28093e-10% change) large trace change predicted (2.19539e-09%) linmin: converged after 4 iterations. iteration 1235: trace = 2.449292760568868 (2.19592e-09% change) linmin: converged after 3 iterations. iteration 1236: trace = 2.449292760552373 (6.7347e-10% change) linmin: converged after 18 iterations. iteration 1237: trace = 2.44929276052581 (1.08453e-09% change) linmin: converged after 8 iterations. iteration 1238: trace = 2.449292760495393 (1.24185e-09% change) linmin: converged after 11 iterations. iteration 1239: trace = 2.449292760480298 (6.1632e-10% change) linmin: converged after 4 iterations. iteration 1240: trace = 2.449292760450337 (1.22325e-09% change) linmin: converged after 12 iterations. iteration 1241: trace = 2.449292760398631 (2.11105e-09% change) linmin: converged after 6 iterations. iteration 1242: trace = 2.449292760388392 (4.18018e-10% change) large trace change predicted (1.59841e-09%) linmin: converged after 4 iterations. iteration 1243: trace = 2.449292760349247 (1.59824e-09% change) linmin: converged after 3 iterations. iteration 1244: trace = 2.449292760307857 (1.68986e-09% change) linmin: converged after 12 iterations. iteration 1245: trace = 2.449292760286392 (8.76396e-10% change) linmin: converged after 3 iterations. iteration 1246: trace = 2.449292760250131 (1.48046e-09% change) linmin: converged after 3 iterations. iteration 1247: trace = 2.449292760216785 (1.36144e-09% change) linmin: converged after 16 iterations. iteration 1248: trace = 2.449292760179073 (1.53971e-09% change) linmin: converged after 6 iterations. iteration 1249: trace = 2.449292760165303 (5.62234e-10% change) large trace change predicted (1.12781e-09%) linmin: converged after 15 iterations. iteration 1250: trace = 2.449292760137683 (1.12764e-09% change) linmin: converged after 4 iterations. iteration 1251: trace = 2.449292760086399 (2.09384e-09% change) linmin: converged after 6 iterations. iteration 1252: trace = 2.449292760061704 (1.00825e-09% change) linmin: converged after 3 iterations. iteration 1253: trace = 2.449292760039286 (9.15269e-10% change) linmin: converged after 17 iterations. iteration 1254: trace = 2.44929276001595 (9.52765e-10% change) linmin: converged after 4 iterations. iteration 1255: trace = 2.449292760003254 (5.18375e-10% change) linmin: converged after 5 iterations. iteration 1256: trace = 2.44929275999268 (4.31707e-10% change) linmin: converged after 7 iterations. iteration 1257: trace = 2.449292759972019 (8.4356e-10% change) linmin: converged after 3 iterations. iteration 1258: trace = 2.449292759964844 (2.92948e-10% change) large trace change predicted (1.85136e-09%) linmin: converged after 11 iterations. iteration 1259: trace = 2.449292759919491 (1.85166e-09% change) resetting CG direction... linmin: converged after 6 iterations. iteration 1260: trace = 2.449292759878815 (1.66074e-09% change) linmin: converged after 16 iterations. iteration 1261: trace = 2.449292759871943 (2.80564e-10% change) large trace change predicted (8.795e-10%) linmin: converged after 4 iterations. iteration 1262: trace = 2.4492927598504 (8.79551e-10% change) linmin: converged after 4 iterations. iteration 1263: trace = 2.449292759840137 (4.19015e-10% change) linmin: converged after 3 iterations. iteration 1264: trace = 2.449292759828019 (4.94768e-10% change) linmin: converged after 5 iterations. iteration 1265: trace = 2.449292759806386 (8.83231e-10% change) linmin: converged after 2 iterations. iteration 1266: trace = 2.449292759787133 (7.86084e-10% change) linmin: converged after 17 iterations. iteration 1267: trace = 2.449292759768299 (7.68931e-10% change) large trace change predicted (1.86179e-09%) linmin: converged after 9 iterations. iteration 1268: trace = 2.449292759722691 (1.86211e-09% change) linmin: converged after 12 iterations. iteration 1269: trace = 2.449292759697415 (1.03194e-09% change) linmin: converged after 4 iterations. iteration 1270: trace = 2.449292759685362 (4.92102e-10% change) large trace change predicted (1.26863e-09%) linmin: converged after 7 iterations. iteration 1271: trace = 2.449292759654297 (1.26832e-09% change) linmin: converged after 2 iterations. iteration 1272: trace = 2.449292759629212 (1.02418e-09% change) linmin: converged after 3 iterations. iteration 1273: trace = 2.449292759620269 (3.65147e-10% change) large trace change predicted (1.44645e-09%) linmin: converged after 4 iterations. iteration 1274: trace = 2.449292759584849 (1.44614e-09% change) linmin: converged after 11 iterations. iteration 1275: trace = 2.449292759553773 (1.26878e-09% change) linmin: converged after 4 iterations. iteration 1276: trace = 2.449292759541637 (4.95475e-10% change) large trace change predicted (1.08503e-09%) linmin: converged after 9 iterations. iteration 1277: trace = 2.449292759515063 (1.08498e-09% change) linmin: converged after 7 iterations. iteration 1278: trace = 2.449292759475166 (1.62892e-09% change) linmin: converged after 7 iterations. iteration 1279: trace = 2.449292759468867 (2.57157e-10% change) large trace change predicted (1.02047e-09%) linmin: converged after 5 iterations. iteration 1280: trace = 2.449292759443875 (1.02038e-09% change) linmin: converged after 12 iterations. iteration 1281: trace = 2.449292759422899 (8.56397e-10% change) linmin: converged after 4 iterations. iteration 1282: trace = 2.449292759415007 (3.22248e-10% change) large trace change predicted (1.02143e-09%) linmin: converged after 9 iterations. iteration 1283: trace = 2.449292759389994 (1.02123e-09% change) linmin: converged after 18 iterations. iteration 1284: trace = 2.449292759358805 (1.27338e-09% change) linmin: converged after 15 iterations. iteration 1285: trace = 2.449292759350972 (3.198e-10% change) large trace change predicted (1.286e-09%) linmin: converged after 12 iterations. iteration 1286: trace = 2.449292759319474 (1.28602e-09% change) linmin: converged after 7 iterations. iteration 1287: trace = 2.449292759286908 (1.32961e-09% change) linmin: converged after 3 iterations. iteration 1288: trace = 2.449292759275036 (4.84687e-10% change) large trace change predicted (1.7547e-09%) linmin: converged after 14 iterations. iteration 1289: trace = 2.449292759232059 (1.7547e-09% change) linmin: converged after 3 iterations. iteration 1290: trace = 2.449292759207233 (1.0136e-09% change) linmin: converged after 12 iterations. iteration 1291: trace = 2.449292759197305 (4.05326e-10% change) large trace change predicted (1.1191e-09%) linmin: converged after 9 iterations. iteration 1292: trace = 2.449292759169892 (1.11925e-09% change) linmin: converged after 6 iterations. iteration 1293: trace = 2.449292759142608 (1.11395e-09% change) linmin: converged after 14 iterations. iteration 1294: trace = 2.449292759105046 (1.53357e-09% change) linmin: converged after 3 iterations. iteration 1295: trace = 2.449292759096788 (3.3717e-10% change) large trace change predicted (1.2402e-09%) linmin: converged after 11 iterations. iteration 1296: trace = 2.449292759066406 (1.24042e-09% change) linmin: converged after 4 iterations. iteration 1297: trace = 2.449292759044751 (8.84156e-10% change) linmin: converged after 6 iterations. iteration 1298: trace = 2.449292759024408 (8.30578e-10% change) linmin: converged after 4 iterations. iteration 1299: trace = 2.449292759014218 (4.16041e-10% change) large trace change predicted (8.57268e-10%) linmin: converged after 3 iterations. iteration 1300: trace = 2.449292758993226 (8.57031e-10% change) linmin: converged after 20 iterations. iteration 1301: trace = 2.449292758983971 (3.77875e-10% change) linmin: converged after 6 iterations. iteration 1302: trace = 2.449292758975509 (3.45492e-10% change) large trace change predicted (1.06722e-09%) linmin: converged after 4 iterations. iteration 1303: trace = 2.449292758949364 (1.06743e-09% change) linmin: converged after 5 iterations. iteration 1304: trace = 2.449292758933997 (6.27434e-10% change) large trace change predicted (1.25714e-09%) linmin: converged after 18 iterations. iteration 1305: trace = 2.449292758903198 (1.25744e-09% change) linmin: converged after 19 iterations. iteration 1306: trace = 2.449292758871245 (1.3046e-09% change) linmin: converged after 6 iterations. iteration 1307: trace = 2.449292758839029 (1.31532e-09% change) linmin: converged after 3 iterations. iteration 1308: trace = 2.449292758820011 (7.76456e-10% change) large trace change predicted (1.62333e-09%) linmin: converged after 2 iterations. iteration 1309: trace = 2.449292758780268 (1.62263e-09% change) linmin: converged after 5 iterations. iteration 1310: trace = 2.449292758767456 (5.23107e-10% change) large trace change predicted (1.49753e-09%) linmin: converged after 12 iterations. iteration 1311: trace = 2.449292758730763 (1.4981e-09% change) linmin: converged after 19 iterations. iteration 1312: trace = 2.449292758695039 (1.45856e-09% change) linmin: converged after 5 iterations. iteration 1313: trace = 2.449292758663336 (1.29438e-09% change) linmin: converged after 13 iterations. iteration 1314: trace = 2.449292758647638 (6.40906e-10% change) large trace change predicted (1.48341e-09%) linmin: converged after 5 iterations. iteration 1315: trace = 2.449292758611305 (1.4834e-09% change) linmin: converged after 4 iterations. iteration 1316: trace = 2.449292758581872 (1.20169e-09% change) linmin: converged after 3 iterations. iteration 1317: trace = 2.449292758571444 (4.2576e-10% change) linmin: converged after 7 iterations. iteration 1318: trace = 2.449292758551255 (8.24286e-10% change) linmin: converged after 12 iterations. iteration 1319: trace = 2.449292758525409 (1.05526e-09% change) linmin: converged after 15 iterations. iteration 1320: trace = 2.449292758518409 (2.85786e-10% change) large trace change predicted (8.51888e-10%) linmin: converged after 3 iterations. iteration 1321: trace = 2.449292758497538 (8.52118e-10% change) linmin: converged after 24 iterations. iteration 1322: trace = 2.449292758477437 (8.20696e-10% change) linmin: converged after 4 iterations. iteration 1323: trace = 2.449292758465393 (4.91703e-10% change) linmin: converged after 3 iterations. iteration 1324: trace = 2.449292758451436 (5.69849e-10% change) large trace change predicted (1.80544e-09%) linmin: converged after 4 iterations. iteration 1325: trace = 2.449292758407206 (1.80583e-09% change) linmin: converged after 6 iterations. iteration 1326: trace = 2.449292758392987 (5.80547e-10% change) large trace change predicted (1.29391e-09%) linmin: converged after 4 iterations. iteration 1327: trace = 2.449292758361296 (1.29387e-09% change) linmin: converged after 4 iterations. iteration 1328: trace = 2.449292758337881 (9.5601e-10% change) linmin: converged after 9 iterations. iteration 1329: trace = 2.449292758291877 (1.87824e-09% change) resetting CG direction... linmin: converged after 21 iterations. iteration 1330: trace = 2.449292758260439 (1.28355e-09% change) linmin: converged after 4 iterations. iteration 1331: trace = 2.449292758233336 (1.10657e-09% change) linmin: converged after 4 iterations. iteration 1332: trace = 2.449292758216852 (6.72998e-10% change) linmin: converged after 3 iterations. iteration 1333: trace = 2.44929275819661 (8.26462e-10% change) linmin: converged after 5 iterations. iteration 1334: trace = 2.449292758158892 (1.53993e-09% change) linmin: converged after 8 iterations. iteration 1335: trace = 2.44929275814702 (4.84741e-10% change) linmin: converged after 4 iterations. iteration 1336: trace = 2.449292758132563 (5.90247e-10% change) linmin: converged after 5 iterations. iteration 1337: trace = 2.449292758115697 (6.88591e-10% change) linmin: converged after 4 iterations. iteration 1338: trace = 2.449292758107446 (3.36898e-10% change) linmin: converged after 5 iterations. iteration 1339: trace = 2.449292758100082 (3.00654e-10% change) large trace change predicted (6.56801e-10%) linmin: converged after 4 iterations. iteration 1340: trace = 2.449292758083996 (6.56753e-10% change) linmin: converged after 4 iterations. iteration 1341: trace = 2.449292758072532 (4.68042e-10% change) linmin: converged after 5 iterations. iteration 1342: trace = 2.449292758058363 (5.7848e-10% change) linmin: converged after 3 iterations. iteration 1343: trace = 2.449292758033271 (1.02449e-09% change) linmin: converged after 5 iterations. iteration 1344: trace = 2.449292758021109 (4.96544e-10% change) linmin: converged after 15 iterations. iteration 1345: trace = 2.449292758009995 (4.53736e-10% change) large trace change predicted (1.18233e-09%) linmin: converged after 5 iterations. iteration 1346: trace = 2.44929275798103 (1.1826e-09% change) linmin: converged after 6 iterations. iteration 1347: trace = 2.449292757969725 (4.61551e-10% change) linmin: converged after 3 iterations. iteration 1348: trace = 2.449292757950474 (7.85993e-10% change) linmin: converged after 3 iterations. iteration 1349: trace = 2.449292757931664 (7.67988e-10% change) linmin: converged after 4 iterations. iteration 1350: trace = 2.449292757913108 (7.57599e-10% change) linmin: converged after 5 iterations. iteration 1351: trace = 2.449292757902453 (4.35007e-10% change) large trace change predicted (1.08104e-09%) linmin: converged after 10 iterations. iteration 1352: trace = 2.449292757875968 (1.08133e-09% change) linmin: converged after 3 iterations. iteration 1353: trace = 2.449292757863557 (5.06716e-10% change) linmin: converged after 8 iterations. iteration 1354: trace = 2.449292757854232 (3.8074e-10% change) linmin: converged after 4 iterations. iteration 1355: trace = 2.449292757837098 (6.99543e-10% change) linmin: converged after 6 iterations. iteration 1356: trace = 2.449292757823234 (5.6606e-10% change) linmin: converged after 4 iterations. iteration 1357: trace = 2.449292757820476 (1.12614e-10% change) large trace change predicted (3.84679e-10%) linmin: converged after 3 iterations. iteration 1358: trace = 2.449292757811056 (3.84565e-10% change) linmin: converged after 7 iterations. iteration 1359: trace = 2.449292757804161 (2.81507e-10% change) linmin: converged after 9 iterations. iteration 1360: trace = 2.44929275779978 (1.78884e-10% change) linmin: converged after 3 iterations. iteration 1361: trace = 2.449292757792422 (3.00436e-10% change) linmin: converged after 6 iterations. iteration 1362: trace = 2.449292757780244 (4.97197e-10% change) linmin: converged after 4 iterations. iteration 1363: trace = 2.449292757775542 (1.91974e-10% change) large trace change predicted (5.49468e-10%) linmin: converged after 15 iterations. iteration 1364: trace = 2.449292757762084 (5.49452e-10% change) linmin: converged after 16 iterations. iteration 1365: trace = 2.449292757749404 (5.17686e-10% change) linmin: converged after 10 iterations. iteration 1366: trace = 2.449292757733511 (6.48902e-10% change) linmin: converged after 3 iterations. iteration 1367: trace = 2.449292757730599 (1.18905e-10% change) large trace change predicted (5.52667e-10%) linmin: converged after 4 iterations. iteration 1368: trace = 2.449292757717065 (5.52552e-10% change) linmin: converged after 4 iterations. iteration 1369: trace = 2.449292757706577 (4.28207e-10% change) linmin: converged after 4 iterations. iteration 1370: trace = 2.449292757699665 (2.82196e-10% change) linmin: converged after 3 iterations. iteration 1371: trace = 2.449292757689103 (4.31235e-10% change) linmin: converged after 10 iterations. iteration 1372: trace = 2.449292757672934 (6.60125e-10% change) linmin: converged after 3 iterations. iteration 1373: trace = 2.449292757666891 (2.46731e-10% change) linmin: converged after 8 iterations. iteration 1374: trace = 2.449292757658389 (3.47124e-10% change) linmin: converged after 10 iterations. iteration 1375: trace = 2.449292757647461 (4.46157e-10% change) linmin: converged after 9 iterations. iteration 1376: trace = 2.449292757643286 (1.70471e-10% change) linmin: converged after 4 iterations. iteration 1377: trace = 2.449292757635902 (3.0147e-10% change) linmin: converged after 3 iterations. iteration 1378: trace = 2.449292757627767 (3.32148e-10% change) linmin: converged after 7 iterations. iteration 1379: trace = 2.449292757624788 (1.21625e-10% change) large trace change predicted (3.34199e-10%) linmin: converged after 4 iterations. iteration 1380: trace = 2.449292757616604 (3.34142e-10% change) linmin: converged after 6 iterations. iteration 1381: trace = 2.449292757608811 (3.18187e-10% change) linmin: converged after 12 iterations. iteration 1382: trace = 2.449292757605973 (1.15841e-10% change) large trace change predicted (5.15861e-10%) linmin: converged after 2 iterations. iteration 1383: trace = 2.449292757593347 (5.15492e-10% change) linmin: converged after 3 iterations. iteration 1384: trace = 2.449292757580417 (5.2793e-10% change) linmin: converged after 9 iterations. iteration 1385: trace = 2.449292757576742 (1.50055e-10% change) large trace change predicted (3.2695e-10%) linmin: converged after 4 iterations. iteration 1386: trace = 2.449292757568738 (3.26763e-10% change) linmin: converged after 12 iterations. iteration 1387: trace = 2.449292757558855 (4.03494e-10% change) linmin: converged after 4 iterations. iteration 1388: trace = 2.449292757556116 (1.11834e-10% change) large trace change predicted (3.83183e-10%) linmin: converged after 4 iterations. iteration 1389: trace = 2.449292757546724 (3.83459e-10% change) linmin: converged after 7 iterations. iteration 1390: trace = 2.449292757539825 (2.81688e-10% change) linmin: converged after 6 iterations. iteration 1391: trace = 2.449292757536826 (1.22441e-10% change) large trace change predicted (4.49669e-10%) linmin: converged after 4 iterations. iteration 1392: trace = 2.44929275752581 (4.49766e-10% change) linmin: converged after 13 iterations. iteration 1393: trace = 2.44929275751563 (4.15624e-10% change) linmin: converged after 3 iterations. iteration 1394: trace = 2.449292757508818 (2.78135e-10% change) linmin: converged after 3 iterations. iteration 1395: trace = 2.449292757505806 (1.22967e-10% change) linmin: converged after 5 iterations. iteration 1396: trace = 2.449292757503015 (1.13937e-10% change) linmin: converged after 6 iterations. iteration 1397: trace = 2.449292757498835 (1.70652e-10% change) linmin: converged after 5 iterations. iteration 1398: trace = 2.449292757495598 (1.32159e-10% change) linmin: converged after 6 iterations. iteration 1399: trace = 2.449292757489532 (2.47692e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1400: trace = 2.44929275748419 (2.18084e-10% change) linmin: converged after 3 iterations. iteration 1401: trace = 2.449292757481353 (1.15859e-10% change) linmin: converged after 3 iterations. iteration 1402: trace = 2.449292757477557 (1.54968e-10% change) linmin: converged after 4 iterations. iteration 1403: trace = 2.449292757475341 (9.04753e-11% change) Finished solving for bands 1 to 10 after 1403 iterations. tmfreqs:, 4, 0.5, 0, 0, 0.5, 0.208799, 0.348978, 0.365278, 0.443856, 0.477901, 0.506845, 0.509076, 0.617527, 0.63971, 0.64689 elapsed time for k point: 28.1665461063385 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.515861151673829 (3.43117% change) linmin: converged after 4 iterations. iteration 2: trace = 2.507854253458112 (0.318764% change) linmin: converged after 4 iterations. iteration 3: trace = 2.499310879780185 (0.341246% change) linmin: converged after 4 iterations. iteration 4: trace = 2.498172980608906 (0.0455389% change) large trace change predicted (0.100541%) linmin: converged after 4 iterations. iteration 5: trace = 2.495678902347199 (0.099886% change) linmin: converged after 4 iterations. iteration 6: trace = 2.495170627545392 (0.0203683% change) linmin: converged after 4 iterations. iteration 7: trace = 2.494660950329129 (0.0204286% change) linmin: converged after 4 iterations. iteration 8: trace = 2.494390079402311 (0.0108586% change) linmin: converged after 3 iterations. iteration 9: trace = 2.494240418424468 (0.00600008% change) linmin: converged after 4 iterations. iteration 10: trace = 2.494053216421211 (0.00750565% change) linmin: converged after 4 iterations. iteration 11: trace = 2.494006868406679 (0.00185836% change) large trace change predicted (0.00615572%) linmin: converged after 4 iterations. iteration 12: trace = 2.493853974686131 (0.00613063% change) linmin: converged after 3 iterations. iteration 13: trace = 2.493809407438376 (0.0017871% change) large trace change predicted (0.00364813%) linmin: converged after 4 iterations. iteration 14: trace = 2.493718867601202 (0.00363065% change) linmin: converged after 3 iterations. iteration 15: trace = 2.493653626225417 (0.00261626% change) linmin: converged after 4 iterations. iteration 16: trace = 2.49359751563219 (0.00225016% change) large trace change predicted (0.00494547%) linmin: converged after 6 iterations. iteration 17: trace = 2.493474411211812 (0.00493694% change) linmin: converged after 4 iterations. iteration 18: trace = 2.493424244217986 (0.00201195% change) large trace change predicted (0.00492544%) linmin: converged after 4 iterations. iteration 19: trace = 2.493301831196066 (0.00490955% change) linmin: converged after 4 iterations. iteration 20: trace = 2.493243931362469 (0.00232224% change) large trace change predicted (0.0047208%) linmin: converged after 4 iterations. iteration 21: trace = 2.493126596439346 (0.00470623% change) linmin: converged after 4 iterations. iteration 22: trace = 2.493032205075623 (0.00378614% change) linmin: converged after 4 iterations. iteration 23: trace = 2.49293130549719 (0.00404735% change) linmin: converged after 4 iterations. iteration 24: trace = 2.49278524274319 (0.00585925% change) linmin: converged after 4 iterations. iteration 25: trace = 2.492694627137033 (0.00363518% change) linmin: converged after 3 iterations. iteration 26: trace = 2.492556619739788 (0.00553663% change) linmin: converged after 4 iterations. iteration 27: trace = 2.49250455534595 (0.00208882% change) large trace change predicted (0.00584562%) linmin: converged after 3 iterations. iteration 28: trace = 2.492359118129861 (0.00583515% change) linmin: converged after 4 iterations. iteration 29: trace = 2.492292370279005 (0.00267814% change) linmin: converged after 3 iterations. iteration 30: trace = 2.49220430578896 (0.00353354% change) linmin: converged after 4 iterations. iteration 31: trace = 2.492122105282072 (0.00329836% change) linmin: converged after 3 iterations. iteration 32: trace = 2.492088527735667 (0.00134736% change) large trace change predicted (0.00374951%) linmin: converged after 6 iterations. iteration 33: trace = 2.491995185427999 (0.00374562% change) linmin: converged after 3 iterations. iteration 34: trace = 2.491973093915842 (0.000886503% change) large trace change predicted (0.00384151%) linmin: converged after 7 iterations. iteration 35: trace = 2.491877462918715 (0.00383764% change) linmin: converged after 4 iterations. iteration 36: trace = 2.491799738782129 (0.00311915% change) linmin: converged after 5 iterations. iteration 37: trace = 2.491716681645437 (0.00333327% change) large trace change predicted (0.00753799%) linmin: converged after 4 iterations. iteration 38: trace = 2.49152917533283 (0.00752547% change) linmin: converged after 3 iterations. iteration 39: trace = 2.491464463909147 (0.00259729% change) large trace change predicted (0.00785114%) linmin: converged after 4 iterations. iteration 40: trace = 2.491269272089142 (0.00783473% change) linmin: converged after 3 iterations. iteration 41: trace = 2.491195528176646 (0.00296014% change) linmin: converged after 4 iterations. iteration 42: trace = 2.491085291982884 (0.00442513% change) linmin: converged after 3 iterations. iteration 43: trace = 2.491014785926876 (0.00283037% change) linmin: converged after 4 iterations. iteration 44: trace = 2.490969441945372 (0.00182032% change) large trace change predicted (0.00538754%) linmin: converged after 3 iterations. iteration 45: trace = 2.490834933949708 (0.00539997% change) linmin: converged after 4 iterations. iteration 46: trace = 2.490789518794173 (0.00182331% change) large trace change predicted (0.010085%) linmin: converged after 3 iterations. iteration 47: trace = 2.49053648644356 (0.0101592% change) linmin: converged after 4 iterations. iteration 48: trace = 2.490423729455281 (0.00452752% change) linmin: converged after 3 iterations. iteration 49: trace = 2.490250090571664 (0.00697251% change) linmin: converged after 3 iterations. iteration 50: trace = 2.490020792176676 (0.00920827% change) linmin: converged after 3 iterations. iteration 51: trace = 2.489949074215871 (0.00288026% change) large trace change predicted (0.00946201%) linmin: converged after 3 iterations. iteration 52: trace = 2.489711189950664 (0.00955424% change) linmin: converged after 3 iterations. iteration 53: trace = 2.489658507822536 (0.00211602% change) large trace change predicted (0.00434323%) linmin: converged after 3 iterations. iteration 54: trace = 2.489549922091362 (0.00436157% change) linmin: converged after 4 iterations. iteration 55: trace = 2.489470621742398 (0.00318538% change) linmin: converged after 3 iterations. iteration 56: trace = 2.489407111986051 (0.00255117% change) linmin: converged after 5 iterations. iteration 57: trace = 2.489315109732702 (0.00369582% change) linmin: converged after 3 iterations. iteration 58: trace = 2.489272642143965 (0.00170601% change) large trace change predicted (0.0035839%) linmin: converged after 3 iterations. iteration 59: trace = 2.489183284780935 (0.00358976% change) linmin: converged after 3 iterations. iteration 60: trace = 2.489147405627738 (0.00144141% change) large trace change predicted (0.00337148%) linmin: converged after 3 iterations. iteration 61: trace = 2.489063408263546 (0.0033746% change) linmin: converged after 3 iterations. iteration 62: trace = 2.489014187238678 (0.00197751% change) linmin: converged after 6 iterations. iteration 63: trace = 2.488950757250488 (0.00254843% change) linmin: converged after 6 iterations. iteration 64: trace = 2.488865295422893 (0.00343371% change) linmin: converged after 4 iterations. iteration 65: trace = 2.488828977849225 (0.00145921% change) linmin: converged after 3 iterations. iteration 66: trace = 2.488763931499588 (0.00261357% change) linmin: converged after 3 iterations. iteration 67: trace = 2.488735820630756 (0.00112952% change) large trace change predicted (0.00312771%) linmin: converged after 3 iterations. iteration 68: trace = 2.48865803033372 (0.00312574% change) linmin: converged after 3 iterations. iteration 69: trace = 2.488603288684836 (0.00219967% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.488574438998683 (0.00115928% change) large trace change predicted (0.00249145%) linmin: converged after 3 iterations. iteration 71: trace = 2.488512469083073 (0.00249021% change) linmin: converged after 7 iterations. iteration 72: trace = 2.488484752519989 (0.00111379% change) linmin: converged after 3 iterations. iteration 73: trace = 2.488451454462159 (0.00133809% change) large trace change predicted (0.00319144%) linmin: converged after 5 iterations. iteration 74: trace = 2.488372268665497 (0.00318218% change) linmin: converged after 3 iterations. iteration 75: trace = 2.488356692296156 (0.000625968% change) large trace change predicted (0.00190099%) linmin: converged after 6 iterations. iteration 76: trace = 2.488309442065777 (0.00189887% change) linmin: converged after 6 iterations. iteration 77: trace = 2.488271423560079 (0.0015279% change) linmin: converged after 5 iterations. iteration 78: trace = 2.488257963152066 (0.000540956% change) large trace change predicted (0.00171558%) linmin: converged after 4 iterations. iteration 79: trace = 2.488215357103769 (0.0017123% change) linmin: converged after 4 iterations. iteration 80: trace = 2.488166190012746 (0.00197602% change) linmin: converged after 4 iterations. iteration 81: trace = 2.488145038750202 (0.000850078% change) linmin: converged after 9 iterations. iteration 82: trace = 2.488106087153145 (0.0015655% change) linmin: converged after 5 iterations. iteration 83: trace = 2.488066320595276 (0.00159828% change) linmin: converged after 5 iterations. iteration 84: trace = 2.488048641018397 (0.000710578% change) large trace change predicted (0.00194472%) linmin: converged after 4 iterations. iteration 85: trace = 2.488000404186797 (0.00193876% change) linmin: converged after 5 iterations. iteration 86: trace = 2.487937971644409 (0.00250938% change) linmin: converged after 4 iterations. iteration 87: trace = 2.487919687253785 (0.000734924% change) large trace change predicted (0.00295947%) linmin: converged after 3 iterations. iteration 88: trace = 2.487846100751176 (0.0029578% change) linmin: converged after 3 iterations. iteration 89: trace = 2.48779789678112 (0.0019376% change) linmin: converged after 3 iterations. iteration 90: trace = 2.487776311165055 (0.000867663% change) large trace change predicted (0.00215064%) linmin: converged after 8 iterations. iteration 91: trace = 2.487722823851851 (0.00215003% change) linmin: converged after 3 iterations. iteration 92: trace = 2.487710795496238 (0.00048351% change) large trace change predicted (0.00124447%) linmin: converged after 3 iterations. iteration 93: trace = 2.487679846654971 (0.00124408% change) linmin: converged after 3 iterations. iteration 94: trace = 2.487653009180049 (0.00107882% change) linmin: converged after 3 iterations. iteration 95: trace = 2.487630494449633 (0.000905063% change) linmin: converged after 3 iterations. iteration 96: trace = 2.487599162868439 (0.0012595% change) linmin: converged after 4 iterations. iteration 97: trace = 2.487540176061325 (0.00237126% change) linmin: converged after 13 iterations. iteration 98: trace = 2.487521621544003 (0.000745901% change) linmin: converged after 12 iterations. iteration 99: trace = 2.487493655168317 (0.00112427% change) linmin: converged after 5 iterations. iteration 100: trace = 2.487462230105953 (0.00126333% change) linmin: converged after 3 iterations. iteration 101: trace = 2.487455338533012 (0.000277053% change) large trace change predicted (0.000933549%) linmin: converged after 5 iterations. iteration 102: trace = 2.487432154496982 (0.000932043% change) linmin: converged after 4 iterations. iteration 103: trace = 2.48740500935143 (0.0010913% change) linmin: converged after 3 iterations. iteration 104: trace = 2.487396780048285 (0.000330839% change) large trace change predicted (0.00148338%) linmin: converged after 4 iterations. iteration 105: trace = 2.487359790952112 (0.00148707% change) linmin: converged after 3 iterations. iteration 106: trace = 2.487331061162991 (0.00115504% change) linmin: converged after 3 iterations. iteration 107: trace = 2.487319457870381 (0.000466497% change) large trace change predicted (0.00231952%) linmin: converged after 6 iterations. iteration 108: trace = 2.487261657386554 (0.00232383% change) linmin: converged after 3 iterations. iteration 109: trace = 2.487237057488622 (0.00098904% change) linmin: converged after 3 iterations. iteration 110: trace = 2.487206680025507 (0.00122134% change) linmin: converged after 3 iterations. iteration 111: trace = 2.487172988183055 (0.00135461% change) linmin: converged after 3 iterations. iteration 112: trace = 2.487160505506559 (0.000501883% change) linmin: converged after 4 iterations. iteration 113: trace = 2.487141931027719 (0.000746817% change) linmin: converged after 4 iterations. iteration 114: trace = 2.48711153891059 (0.00122198% change) linmin: converged after 8 iterations. iteration 115: trace = 2.487101704456427 (0.000395417% change) large trace change predicted (0.000796922%) linmin: converged after 3 iterations. iteration 116: trace = 2.487081889573585 (0.000796709% change) linmin: converged after 3 iterations. iteration 117: trace = 2.487063659059027 (0.000733011% change) linmin: converged after 3 iterations. iteration 118: trace = 2.487055230671833 (0.00033889% change) large trace change predicted (0.00104493%) linmin: converged after 3 iterations. iteration 119: trace = 2.487029234685902 (0.00104526% change) linmin: converged after 3 iterations. iteration 120: trace = 2.487007944137152 (0.000856067% change) linmin: converged after 8 iterations. iteration 121: trace = 2.487000100522967 (0.000315384% change) large trace change predicted (0.000980844%) linmin: converged after 3 iterations. iteration 122: trace = 2.486975706967046 (0.000980847% change) linmin: converged after 3 iterations. iteration 123: trace = 2.486952796770185 (0.000921211% change) linmin: converged after 3 iterations. iteration 124: trace = 2.486940008905714 (0.000514199% change) large trace change predicted (0.00230861%) linmin: converged after 4 iterations. iteration 125: trace = 2.486882647993479 (0.00230651% change) linmin: converged after 4 iterations. iteration 126: trace = 2.486843226009379 (0.00158521% change) linmin: converged after 5 iterations. iteration 127: trace = 2.486783811460642 (0.00238918% change) linmin: converged after 4 iterations. iteration 128: trace = 2.48669871348533 (0.00342207% change) linmin: converged after 3 iterations. iteration 129: trace = 2.486661243670145 (0.00150682% change) linmin: converged after 3 iterations. iteration 130: trace = 2.486623132926262 (0.00153262% change) linmin: converged after 3 iterations. iteration 131: trace = 2.486591344832048 (0.00127837% change) linmin: converged after 3 iterations. iteration 132: trace = 2.4865814937423 (0.000396169% change) large trace change predicted (0.000967334%) linmin: converged after 3 iterations. iteration 133: trace = 2.486557431462587 (0.00096769% change) linmin: converged after 3 iterations. iteration 134: trace = 2.486535826645763 (0.000868868% change) linmin: converged after 3 iterations. iteration 135: trace = 2.486525663112714 (0.000408744% change) large trace change predicted (0.00132612%) linmin: converged after 3 iterations. iteration 136: trace = 2.486492665191104 (0.00132708% change) linmin: converged after 4 iterations. iteration 137: trace = 2.486468457108777 (0.000973588% change) linmin: converged after 7 iterations. iteration 138: trace = 2.486461318822816 (0.000287086% change) large trace change predicted (0.000628989%) linmin: converged after 4 iterations. iteration 139: trace = 2.486445680468438 (0.000628942% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.486440289788272 (0.000216803% change) linmin: converged after 3 iterations. iteration 141: trace = 2.486436863147604 (0.000137813% change) large trace change predicted (0.000494291%) linmin: converged after 4 iterations. iteration 142: trace = 2.486424584061527 (0.000493844% change) linmin: converged after 4 iterations. iteration 143: trace = 2.486421589022448 (0.000120456% change) large trace change predicted (0.000520032%) linmin: converged after 8 iterations. iteration 144: trace = 2.486408675288939 (0.000519372% change) linmin: converged after 6 iterations. iteration 145: trace = 2.486391964020527 (0.000672107% change) linmin: converged after 4 iterations. iteration 146: trace = 2.486387473471293 (0.000180605% change) large trace change predicted (0.000451357%) linmin: converged after 4 iterations. iteration 147: trace = 2.486376248913267 (0.000451441% change) linmin: converged after 3 iterations. iteration 148: trace = 2.486363582037508 (0.000509453% change) linmin: converged after 3 iterations. iteration 149: trace = 2.486359906676177 (0.000147821% change) large trace change predicted (0.000894931%) linmin: converged after 3 iterations. iteration 150: trace = 2.486337641632201 (0.000895492% change) linmin: converged after 4 iterations. iteration 151: trace = 2.486322452549459 (0.000610904% change) linmin: converged after 3 iterations. iteration 152: trace = 2.486310259570744 (0.000490403% change) linmin: converged after 3 iterations. iteration 153: trace = 2.486288321122706 (0.000882374% change) linmin: converged after 3 iterations. iteration 154: trace = 2.486270483792572 (0.000717431% change) linmin: converged after 4 iterations. iteration 155: trace = 2.4862650399066 (0.000218958% change) large trace change predicted (0.000473464%) linmin: converged after 4 iterations. iteration 156: trace = 2.486253257826232 (0.000473888% change) linmin: converged after 3 iterations. iteration 157: trace = 2.486244461101854 (0.000353815% change) linmin: converged after 4 iterations. iteration 158: trace = 2.486241757118816 (0.000108758% change) large trace change predicted (0.000397541%) linmin: converged after 4 iterations. iteration 159: trace = 2.48623186989146 (0.000397678% change) linmin: converged after 5 iterations. iteration 160: trace = 2.486229396301509 (9.94916e-05% change) large trace change predicted (0.000219465%) linmin: converged after 3 iterations. iteration 161: trace = 2.486223939602325 (0.000219477% change) linmin: converged after 4 iterations. iteration 162: trace = 2.486219116871336 (0.000193978% change) linmin: converged after 3 iterations. iteration 163: trace = 2.486216670483981 (9.83979e-05% change) large trace change predicted (0.000285128%) linmin: converged after 4 iterations. iteration 164: trace = 2.486209588960201 (0.000284832% change) linmin: converged after 6 iterations. iteration 165: trace = 2.48619885344186 (0.000431804% change) linmin: converged after 4 iterations. iteration 166: trace = 2.486195873984109 (0.00011984% change) large trace change predicted (0.000256651%) linmin: converged after 8 iterations. iteration 167: trace = 2.486189495901156 (0.00025654% change) linmin: converged after 4 iterations. iteration 168: trace = 2.486181604699071 (0.000317402% change) linmin: converged after 3 iterations. iteration 169: trace = 2.486178618065353 (0.000120129% change) linmin: converged after 3 iterations. iteration 170: trace = 2.48617290481143 (0.000229801% change) linmin: converged after 3 iterations. iteration 171: trace = 2.486164240634306 (0.000348495% change) linmin: converged after 19 iterations. iteration 172: trace = 2.486160634286947 (0.000145057% change) large trace change predicted (0.000303771%) linmin: converged after 5 iterations. iteration 173: trace = 2.486153084259693 (0.000303683% change) linmin: converged after 5 iterations. iteration 174: trace = 2.486145932606197 (0.00028766% change) linmin: converged after 3 iterations. iteration 175: trace = 2.486143255129608 (0.000107696% change) large trace change predicted (0.000276696%) linmin: converged after 3 iterations. iteration 176: trace = 2.486136378357672 (0.000276604% change) linmin: converged after 4 iterations. iteration 177: trace = 2.486131523835827 (0.000195264% change) linmin: converged after 3 iterations. iteration 178: trace = 2.486129060812015 (9.90706e-05% change) linmin: converged after 4 iterations. iteration 179: trace = 2.486124797994099 (0.000171464% change) linmin: converged after 3 iterations. iteration 180: trace = 2.486122214191398 (0.000103929% change) linmin: converged after 3 iterations. iteration 181: trace = 2.486119040618497 (0.000127652% change) large trace change predicted (0.00034104%) linmin: converged after 4 iterations. iteration 182: trace = 2.48611056781061 (0.000340805% change) linmin: converged after 3 iterations. iteration 183: trace = 2.486105931777405 (0.000186478% change) linmin: converged after 10 iterations. iteration 184: trace = 2.486103634667434 (9.2398e-05% change) linmin: converged after 5 iterations. iteration 185: trace = 2.4860996133327 (0.000161753% change) linmin: converged after 4 iterations. iteration 186: trace = 2.486095634348923 (0.000160049% change) linmin: converged after 3 iterations. iteration 187: trace = 2.486093670744461 (7.89835e-05% change) large trace change predicted (0.000189645%) linmin: converged after 5 iterations. iteration 188: trace = 2.486088955821581 (0.000189652% change) linmin: converged after 4 iterations. iteration 189: trace = 2.486086825903955 (8.56735e-05% change) large trace change predicted (0.000211188%) linmin: converged after 3 iterations. iteration 190: trace = 2.486081573814876 (0.00021126% change) linmin: converged after 4 iterations. iteration 191: trace = 2.486075426995334 (0.00024725% change) linmin: converged after 3 iterations. iteration 192: trace = 2.486072769630996 (0.00010689% change) linmin: converged after 4 iterations. iteration 193: trace = 2.486067943723486 (0.000194118% change) linmin: converged after 3 iterations. iteration 194: trace = 2.48606272333263 (0.000209986% change) linmin: converged after 2 iterations. iteration 195: trace = 2.486061485062079 (4.98085e-05% change) large trace change predicted (0.000140843%) linmin: converged after 3 iterations. iteration 196: trace = 2.486057981726537 (0.000140919% change) linmin: converged after 3 iterations. iteration 197: trace = 2.486054790487199 (0.000128366% change) linmin: converged after 3 iterations. iteration 198: trace = 2.486053730766877 (4.26266e-05% change) large trace change predicted (9.29381e-05%) linmin: converged after 3 iterations. iteration 199: trace = 2.486051419167134 (9.29827e-05% change) linmin: converged after 4 iterations. iteration 200: trace = 2.486048689157747 (0.000109813% change) linmin: converged after 3 iterations. iteration 201: trace = 2.486047070211121 (6.51213e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.486045443138972 (6.54482e-05% change) large trace change predicted (0.000223876%) linmin: converged after 3 iterations. iteration 203: trace = 2.486039873531649 (0.000224035% change) linmin: converged after 4 iterations. iteration 204: trace = 2.486038834641283 (4.1789e-05% change) large trace change predicted (0.000197334%) linmin: converged after 4 iterations. iteration 205: trace = 2.486033927122257 (0.000197403% change) linmin: converged after 3 iterations. iteration 206: trace = 2.486031253110945 (0.000107561% change) linmin: converged after 3 iterations. iteration 207: trace = 2.486030203012959 (4.22399e-05% change) large trace change predicted (8.89382e-05%) linmin: converged after 4 iterations. iteration 208: trace = 2.486027992186763 (8.893e-05% change) large trace change predicted (0.000191294%) linmin: converged after 4 iterations. iteration 209: trace = 2.486023240291419 (0.000191144% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.48602166233256 (6.34732e-05% change) linmin: converged after 7 iterations. iteration 211: trace = 2.486019820426403 (7.40905e-05% change) linmin: converged after 16 iterations. iteration 212: trace = 2.486017724831624 (8.42952e-05% change) linmin: converged after 19 iterations. iteration 213: trace = 2.486016920454458 (3.23561e-05% change) linmin: converged after 3 iterations. iteration 214: trace = 2.486015445356371 (5.93358e-05% change) linmin: converged after 4 iterations. iteration 215: trace = 2.486012643575258 (0.000112702% change) linmin: converged after 3 iterations. iteration 216: trace = 2.4860120711966 (2.3024e-05% change) large trace change predicted (8.12182e-05%) linmin: converged after 3 iterations. iteration 217: trace = 2.486010053281864 (8.11708e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.486008174733657 (7.55648e-05% change) linmin: converged after 7 iterations. iteration 219: trace = 2.486007604103798 (2.29537e-05% change) large trace change predicted (8.13071e-05%) linmin: converged after 4 iterations. iteration 220: trace = 2.486005583942256 (8.12613e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.486004904217118 (2.73421e-05% change) large trace change predicted (6.7171e-05%) linmin: converged after 4 iterations. iteration 222: trace = 2.486003234756909 (6.71544e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.486001855253293 (5.54908e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.486000292716838 (6.28534e-05% change) linmin: converged after 4 iterations. iteration 225: trace = 2.485998985285377 (5.25918e-05% change) large trace change predicted (0.000140426%) linmin: converged after 3 iterations. iteration 226: trace = 2.485995495454699 (0.00014038% change) linmin: converged after 4 iterations. iteration 227: trace = 2.485993564799009 (7.76613e-05% change) linmin: converged after 5 iterations. iteration 228: trace = 2.485991407522055 (8.67773e-05% change) linmin: converged after 4 iterations. iteration 229: trace = 2.485988221273661 (0.000128168% change) linmin: converged after 3 iterations. iteration 230: trace = 2.485987021442645 (4.82638e-05% change) large trace change predicted (9.71746e-05%) linmin: converged after 4 iterations. iteration 231: trace = 2.485984605269238 (9.71918e-05% change) linmin: converged after 12 iterations. iteration 232: trace = 2.485982113380389 (0.000100238% change) linmin: converged after 3 iterations. iteration 233: trace = 2.485981326131903 (3.16675e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.485979780226005 (6.2185e-05% change) linmin: converged after 3 iterations. iteration 235: trace = 2.485977735077265 (8.22673e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.485977082387928 (2.62548e-05% change) large trace change predicted (7.89405e-05%) linmin: converged after 4 iterations. iteration 237: trace = 2.485975119710794 (7.895e-05% change) linmin: converged after 3 iterations. iteration 238: trace = 2.485972241545835 (0.000115776% change) linmin: converged after 4 iterations. iteration 239: trace = 2.485971542080217 (2.81365e-05% change) linmin: converged after 7 iterations. iteration 240: trace = 2.48597033986007 (4.83602e-05% change) linmin: converged after 7 iterations. iteration 241: trace = 2.485968713079803 (6.54385e-05% change) linmin: converged after 3 iterations. iteration 242: trace = 2.485968290788303 (1.6987e-05% change) large trace change predicted (6.92093e-05%) linmin: converged after 3 iterations. iteration 243: trace = 2.485966570357046 (6.92057e-05% change) linmin: converged after 3 iterations. iteration 244: trace = 2.485965176929392 (5.60518e-05% change) linmin: converged after 3 iterations. iteration 245: trace = 2.485964450131743 (2.9236e-05% change) large trace change predicted (9.9456e-05%) linmin: converged after 3 iterations. iteration 246: trace = 2.485961977650641 (9.94577e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 2.485959560880733 (9.72167e-05% change) linmin: converged after 4 iterations. iteration 248: trace = 2.485957603148586 (7.87516e-05% change) linmin: converged after 3 iterations. iteration 249: trace = 2.485954652990689 (0.000118673% change) linmin: converged after 3 iterations. iteration 250: trace = 2.485953946672617 (2.84124e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 2.485952566583639 (5.55155e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.485950247448975 (9.32896e-05% change) linmin: converged after 4 iterations. iteration 253: trace = 2.485949196921529 (4.22586e-05% change) linmin: converged after 3 iterations. iteration 254: trace = 2.485947509915658 (6.78617e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.485945599170257 (7.68619e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.485944803326224 (3.20137e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 2.485943537858481 (5.09049e-05% change) linmin: converged after 4 iterations. iteration 258: trace = 2.485942148637885 (5.5883e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.485941652322989 (1.99649e-05% change) large trace change predicted (5.75319e-05%) linmin: converged after 5 iterations. iteration 260: trace = 2.485940222210101 (5.7528e-05% change) linmin: converged after 3 iterations. iteration 261: trace = 2.485938485111861 (6.98769e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.485938048853872 (1.7549e-05% change) large trace change predicted (5.40416e-05%) linmin: converged after 3 iterations. iteration 263: trace = 2.485936705878297 (5.40229e-05% change) linmin: converged after 3 iterations. iteration 264: trace = 2.485934952660785 (7.05255e-05% change) linmin: converged after 3 iterations. iteration 265: trace = 2.485934397595012 (2.23283e-05% change) large trace change predicted (0.00011835%) linmin: converged after 18 iterations. iteration 266: trace = 2.485931458026386 (0.000118248% change) linmin: converged after 4 iterations. iteration 267: trace = 2.485930172588715 (5.17085e-05% change) linmin: converged after 3 iterations. iteration 268: trace = 2.4859286694119 (6.04674e-05% change) linmin: converged after 4 iterations. iteration 269: trace = 2.485926276465842 (9.62597e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.485925247892294 (4.13759e-05% change) linmin: converged after 4 iterations. iteration 271: trace = 2.485923794746091 (5.8455e-05% change) linmin: converged after 4 iterations. iteration 272: trace = 2.485921887775535 (7.67108e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.48592141459958 (1.90342e-05% change) large trace change predicted (3.86984e-05%) linmin: converged after 4 iterations. iteration 274: trace = 2.485920452706827 (3.86936e-05% change) linmin: converged after 4 iterations. iteration 275: trace = 2.485918576678307 (7.54662e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.485918197369612 (1.52583e-05% change) large trace change predicted (5.8691e-05%) linmin: converged after 3 iterations. iteration 277: trace = 2.485916738285272 (5.8694e-05% change) linmin: converged after 3 iterations. iteration 278: trace = 2.485915891083672 (3.40801e-05% change) linmin: converged after 3 iterations. iteration 279: trace = 2.485915592792022 (1.19993e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.485915362064377 (9.2814e-06% change) linmin: converged after 2 iterations. iteration 281: trace = 2.485914979334007 (1.5396e-05% change) large trace change predicted (3.33132e-05%) linmin: converged after 4 iterations. iteration 282: trace = 2.485914151321519 (3.33082e-05% change) linmin: converged after 3 iterations. iteration 283: trace = 2.485913830010913 (1.29253e-05% change) large trace change predicted (3.47632e-05%) linmin: converged after 3 iterations. iteration 284: trace = 2.48591296605684 (3.4754e-05% change) linmin: converged after 11 iterations. iteration 285: trace = 2.485911946497856 (4.10135e-05% change) linmin: converged after 4 iterations. iteration 286: trace = 2.485911578228921 (1.48142e-05% change) large trace change predicted (4.42076e-05%) linmin: converged after 3 iterations. iteration 287: trace = 2.485910479229498 (4.42091e-05% change) linmin: converged after 3 iterations. iteration 288: trace = 2.485909675900838 (3.23153e-05% change) linmin: converged after 19 iterations. iteration 289: trace = 2.485909383837983 (1.17487e-05% change) large trace change predicted (6.09017e-05%) linmin: converged after 3 iterations. iteration 290: trace = 2.485907869246634 (6.09271e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.485906728103228 (4.59045e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.485906084566316 (2.58874e-05% change) large trace change predicted (5.32656e-05%) linmin: converged after 3 iterations. iteration 293: trace = 2.485904759666363 (5.32965e-05% change) linmin: converged after 5 iterations. iteration 294: trace = 2.485903479690847 (5.14893e-05% change) linmin: converged after 2 iterations. iteration 295: trace = 2.485903214134903 (1.06825e-05% change) large trace change predicted (4.17691e-05%) linmin: converged after 3 iterations. iteration 296: trace = 2.485902175469334 (4.17822e-05% change) linmin: converged after 2 iterations. iteration 297: trace = 2.485901759912614 (1.67165e-05% change) linmin: converged after 3 iterations. iteration 298: trace = 2.485901410242527 (1.40661e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.485900758526346 (2.62165e-05% change) linmin: converged after 3 iterations. iteration 300: trace = 2.485900245740206 (2.06278e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.485899783935422 (1.8577e-05% change) linmin: converged after 3 iterations. iteration 302: trace = 2.485899147336437 (2.56084e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.485898814290321 (1.33974e-05% change) linmin: converged after 5 iterations. iteration 304: trace = 2.485898222554131 (2.38037e-05% change) linmin: converged after 3 iterations. iteration 305: trace = 2.48589739856915 (3.31464e-05% change) linmin: converged after 3 iterations. iteration 306: trace = 2.485897199452766 (8.00984e-06% change) large trace change predicted (2.99624e-05%) linmin: converged after 3 iterations. iteration 307: trace = 2.485896454698262 (2.99592e-05% change) linmin: converged after 3 iterations. iteration 308: trace = 2.485895751213688 (2.8299e-05% change) linmin: converged after 3 iterations. iteration 309: trace = 2.485895255043824 (1.99594e-05% change) linmin: converged after 3 iterations. iteration 310: trace = 2.485894923221529 (1.33482e-05% change) linmin: converged after 3 iterations. iteration 311: trace = 2.48589430279548 (2.49579e-05% change) linmin: converged after 3 iterations. iteration 312: trace = 2.485893657591447 (2.59546e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.485893301092384 (1.43409e-05% change) linmin: converged after 3 iterations. iteration 314: trace = 2.485892844795108 (1.83555e-05% change) linmin: converged after 4 iterations. iteration 315: trace = 2.485892591990333 (1.01696e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.485892172725633 (1.68658e-05% change) linmin: converged after 3 iterations. iteration 317: trace = 2.485891629522333 (2.18514e-05% change) linmin: converged after 2 iterations. iteration 318: trace = 2.485891544246948 (3.43037e-06% change) large trace change predicted (1.78265e-05%) linmin: converged after 3 iterations. iteration 319: trace = 2.485891101165311 (1.78239e-05% change) linmin: converged after 15 iterations. iteration 320: trace = 2.485890815878846 (1.14762e-05% change) linmin: converged after 3 iterations. iteration 321: trace = 2.485890656320491 (6.41856e-06% change) large trace change predicted (2.38478e-05%) linmin: converged after 3 iterations. iteration 322: trace = 2.485890063657822 (2.38411e-05% change) linmin: converged after 3 iterations. iteration 323: trace = 2.485889467270056 (2.39909e-05% change) linmin: converged after 3 iterations. iteration 324: trace = 2.485889303778676 (6.57678e-06% change) large trace change predicted (1.48554e-05%) linmin: converged after 3 iterations. iteration 325: trace = 2.485888934559074 (1.48526e-05% change) linmin: converged after 3 iterations. iteration 326: trace = 2.485888508958285 (1.71207e-05% change) linmin: converged after 2 iterations. iteration 327: trace = 2.48588838505377 (4.98432e-06% change) large trace change predicted (1.93384e-05%) linmin: converged after 3 iterations. iteration 328: trace = 2.485887904349726 (1.93373e-05% change) linmin: converged after 4 iterations. iteration 329: trace = 2.485887395647176 (2.04636e-05% change) linmin: converged after 3 iterations. iteration 330: trace = 2.4858871701342 (9.07173e-06% change) large trace change predicted (2.73864e-05%) linmin: converged after 5 iterations. iteration 331: trace = 2.485886489327267 (2.73869e-05% change) linmin: converged after 5 iterations. iteration 332: trace = 2.485886139202443 (1.40845e-05% change) linmin: converged after 4 iterations. iteration 333: trace = 2.485885911741008 (9.15012e-06% change) large trace change predicted (1.86743e-05%) linmin: converged after 5 iterations. iteration 334: trace = 2.485885447480412 (1.86759e-05% change) linmin: converged after 11 iterations. iteration 335: trace = 2.485885355341075 (3.7065e-06% change) large trace change predicted (8.61507e-06%) linmin: converged after 3 iterations. iteration 336: trace = 2.485885141166589 (8.61562e-06% change) linmin: converged after 3 iterations. iteration 337: trace = 2.48588493216204 (8.40765e-06% change) linmin: converged after 4 iterations. iteration 338: trace = 2.485884767601123 (6.61981e-06% change) linmin: converged after 3 iterations. iteration 339: trace = 2.485884655304945 (4.51735e-06% change) large trace change predicted (1.28476e-05%) linmin: converged after 4 iterations. iteration 340: trace = 2.485884335852031 (1.28507e-05% change) linmin: converged after 3 iterations. iteration 341: trace = 2.48588425764056 (3.14622e-06% change) large trace change predicted (1.26831e-05%) linmin: converged after 3 iterations. iteration 342: trace = 2.48588394227326 (1.26863e-05% change) linmin: converged after 3 iterations. iteration 343: trace = 2.485883730088949 (8.53557e-06% change) linmin: converged after 3 iterations. iteration 344: trace = 2.485883609526295 (4.84989e-06% change) large trace change predicted (1.29775e-05%) linmin: converged after 4 iterations. iteration 345: trace = 2.485883286834197 (1.2981e-05% change) linmin: converged after 3 iterations. iteration 346: trace = 2.485882912128837 (1.50733e-05% change) linmin: converged after 7 iterations. iteration 347: trace = 2.485882808791008 (4.15699e-06% change) large trace change predicted (1.04767e-05%) linmin: converged after 14 iterations. iteration 348: trace = 2.485882548354676 (1.04766e-05% change) large trace change predicted (2.95786e-05%) linmin: converged after 3 iterations. iteration 349: trace = 2.485881812955257 (2.9583e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 350: trace = 2.485881514510594 (1.20056e-05% change) linmin: converged after 4 iterations. iteration 351: trace = 2.485881223750412 (1.16965e-05% change) linmin: converged after 25 iterations. iteration 352: trace = 2.485881029288718 (7.82265e-06% change) linmin: converged after 3 iterations. iteration 353: trace = 2.485880906357333 (4.94518e-06% change) linmin: converged after 4 iterations. iteration 354: trace = 2.485880685641392 (8.87878e-06% change) linmin: converged after 3 iterations. iteration 355: trace = 2.485880555076698 (5.25225e-06% change) linmin: converged after 3 iterations. iteration 356: trace = 2.485880408755806 (5.88608e-06% change) linmin: converged after 5 iterations. iteration 357: trace = 2.485880228954124 (7.23292e-06% change) linmin: converged after 2 iterations. iteration 358: trace = 2.485880148668377 (3.22967e-06% change) linmin: converged after 3 iterations. iteration 359: trace = 2.485880018436197 (5.23888e-06% change) linmin: converged after 4 iterations. iteration 360: trace = 2.485879772902679 (9.87713e-06% change) linmin: converged after 3 iterations. iteration 361: trace = 2.485879726099899 (1.88275e-06% change) large trace change predicted (7.83549e-06%) linmin: converged after 4 iterations. iteration 362: trace = 2.485879531355716 (7.83402e-06% change) linmin: converged after 9 iterations. iteration 363: trace = 2.485879432972442 (3.95768e-06% change) linmin: converged after 3 iterations. iteration 364: trace = 2.485879382776055 (2.01926e-06% change) large trace change predicted (7.51192e-06%) linmin: converged after 4 iterations. iteration 365: trace = 2.485879196053828 (7.51132e-06% change) linmin: converged after 4 iterations. iteration 366: trace = 2.485878918737102 (1.11557e-05% change) linmin: converged after 3 iterations. iteration 367: trace = 2.485878838798888 (3.21569e-06% change) large trace change predicted (1.50778e-05%) linmin: converged after 5 iterations. iteration 368: trace = 2.485878464021962 (1.50762e-05% change) linmin: converged after 3 iterations. iteration 369: trace = 2.485878242798155 (8.89922e-06% change) linmin: converged after 3 iterations. iteration 370: trace = 2.485878083084298 (6.42485e-06% change) large trace change predicted (1.39882e-05%) linmin: converged after 2 iterations. iteration 371: trace = 2.485877735352281 (1.39883e-05% change) linmin: converged after 3 iterations. iteration 372: trace = 2.485877553497671 (7.31551e-06% change) linmin: converged after 4 iterations. iteration 373: trace = 2.485877412382589 (5.67667e-06% change) linmin: converged after 2 iterations. iteration 374: trace = 2.485877237830245 (7.02176e-06% change) linmin: converged after 4 iterations. iteration 375: trace = 2.48587715630186 (3.27966e-06% change) linmin: converged after 2 iterations. iteration 376: trace = 2.485877016667172 (5.61712e-06% change) linmin: converged after 9 iterations. iteration 377: trace = 2.485876803759644 (8.56469e-06% change) linmin: converged after 3 iterations. iteration 378: trace = 2.485876551735124 (1.01383e-05% change) linmin: converged after 3 iterations. iteration 379: trace = 2.485876485322607 (2.67159e-06% change) large trace change predicted (8.36444e-06%) linmin: converged after 3 iterations. iteration 380: trace = 2.485876277378888 (8.36501e-06% change) linmin: converged after 2 iterations. iteration 381: trace = 2.485876180467824 (3.89847e-06% change) linmin: converged after 2 iterations. iteration 382: trace = 2.485876120951598 (2.39418e-06% change) large trace change predicted (7.67982e-06%) linmin: converged after 3 iterations. iteration 383: trace = 2.485875930026207 (7.68041e-06% change) linmin: converged after 6 iterations. iteration 384: trace = 2.485875786619711 (5.76885e-06% change) linmin: converged after 6 iterations. iteration 385: trace = 2.485875653107228 (5.37084e-06% change) linmin: converged after 10 iterations. iteration 386: trace = 2.48587545214853 (8.08402e-06% change) linmin: converged after 11 iterations. iteration 387: trace = 2.485875267224383 (7.439e-06% change) linmin: converged after 4 iterations. iteration 388: trace = 2.48587509653285 (6.86646e-06% change) linmin: converged after 3 iterations. iteration 389: trace = 2.48587478504677 (1.25302e-05% change) linmin: converged after 3 iterations. iteration 390: trace = 2.485874711587472 (2.95507e-06% change) large trace change predicted (9.66892e-06%) linmin: converged after 3 iterations. iteration 391: trace = 2.485874471223908 (9.66917e-06% change) linmin: converged after 3 iterations. iteration 392: trace = 2.485874304672314 (6.69992e-06% change) linmin: converged after 4 iterations. iteration 393: trace = 2.485874240966709 (2.5627e-06% change) large trace change predicted (8.52134e-06%) linmin: converged after 3 iterations. iteration 394: trace = 2.485874029130197 (8.52161e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.485873853348626 (7.07122e-06% change) linmin: converged after 4 iterations. iteration 396: trace = 2.485873775850513 (3.11754e-06% change) large trace change predicted (6.63398e-06%) linmin: converged after 20 iterations. iteration 397: trace = 2.485873610935209 (6.6341e-06% change) linmin: converged after 3 iterations. iteration 398: trace = 2.485873466327382 (5.81718e-06% change) linmin: converged after 10 iterations. iteration 399: trace = 2.485873406530761 (2.40546e-06% change) large trace change predicted (6.44651e-06%) linmin: converged after 2 iterations. iteration 400: trace = 2.485873246278171 (6.44653e-06% change) linmin: converged after 4 iterations. iteration 401: trace = 2.48587312207813 (4.99623e-06% change) linmin: converged after 2 iterations. iteration 402: trace = 2.485873073869304 (1.93931e-06% change) large trace change predicted (4.94827e-06%) linmin: converged after 3 iterations. iteration 403: trace = 2.485872950871931 (4.94785e-06% change) linmin: converged after 10 iterations. iteration 404: trace = 2.485872803759377 (5.91794e-06% change) linmin: converged after 3 iterations. iteration 405: trace = 2.485872730873161 (2.93202e-06% change) large trace change predicted (1.06991e-05%) linmin: converged after 3 iterations. iteration 406: trace = 2.485872464998474 (1.06954e-05% change) linmin: converged after 4 iterations. iteration 407: trace = 2.485872356698162 (4.35663e-06% change) linmin: converged after 3 iterations. iteration 408: trace = 2.485872154926615 (8.11673e-06% change) linmin: converged after 4 iterations. iteration 409: trace = 2.485871910439476 (9.83507e-06% change) linmin: converged after 4 iterations. iteration 410: trace = 2.485871678185134 (9.34297e-06% change) linmin: converged after 2 iterations. iteration 411: trace = 2.485871637165604 (1.65011e-06% change) large trace change predicted (7.06985e-06%) linmin: converged after 3 iterations. iteration 412: trace = 2.485871461431048 (7.06933e-06% change) linmin: converged after 3 iterations. iteration 413: trace = 2.485871354973823 (4.28249e-06% change) linmin: converged after 3 iterations. iteration 414: trace = 2.485871317300504 (1.5155e-06% change) large trace change predicted (8.44834e-06%) linmin: converged after 4 iterations. iteration 415: trace = 2.485871107245198 (8.44997e-06% change) linmin: converged after 9 iterations. iteration 416: trace = 2.485870995557364 (4.49291e-06% change) linmin: converged after 2 iterations. iteration 417: trace = 2.48587092607737 (2.795e-06% change) linmin: converged after 2 iterations. iteration 418: trace = 2.485870842309035 (3.36978e-06% change) linmin: converged after 2 iterations. iteration 419: trace = 2.485870812618929 (1.19435e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.485870790988921 (8.70118e-07% change) large trace change predicted (1.85938e-06%) linmin: converged after 3 iterations. iteration 421: trace = 2.485870744767202 (1.85938e-06% change) linmin: converged after 13 iterations. iteration 422: trace = 2.485870684426446 (2.42735e-06% change) linmin: converged after 2 iterations. iteration 423: trace = 2.48587062033819 (2.5781e-06% change) linmin: converged after 3 iterations. iteration 424: trace = 2.485870499038767 (4.87956e-06% change) linmin: converged after 3 iterations. iteration 425: trace = 2.485870432544549 (2.67489e-06% change) linmin: converged after 4 iterations. iteration 426: trace = 2.485870353185278 (3.19241e-06% change) linmin: converged after 9 iterations. iteration 427: trace = 2.485870232461895 (4.85638e-06% change) linmin: converged after 4 iterations. iteration 428: trace = 2.485870189641378 (1.72256e-06% change) linmin: converged after 3 iterations. iteration 429: trace = 2.485870107360035 (3.30996e-06% change) linmin: converged after 4 iterations. iteration 430: trace = 2.485869946177292 (6.48396e-06% change) linmin: converged after 4 iterations. iteration 431: trace = 2.48586991042457 (1.43824e-06% change) large trace change predicted (6.4756e-06%) linmin: converged after 3 iterations. iteration 432: trace = 2.485869749411052 (6.47715e-06% change) linmin: converged after 4 iterations. iteration 433: trace = 2.485869622048531 (5.12346e-06% change) linmin: converged after 2 iterations. iteration 434: trace = 2.485869576522298 (1.8314e-06% change) large trace change predicted (4.69509e-06%) linmin: converged after 3 iterations. iteration 435: trace = 2.485869459789661 (4.69585e-06% change) linmin: converged after 3 iterations. iteration 436: trace = 2.485869362386965 (3.91825e-06% change) linmin: converged after 16 iterations. iteration 437: trace = 2.485869339266155 (9.30089e-07% change) large trace change predicted (2.66894e-06%) linmin: converged after 2 iterations. iteration 438: trace = 2.485869272918403 (2.669e-06% change) linmin: converged after 2 iterations. iteration 439: trace = 2.485869209494942 (2.55136e-06% change) linmin: converged after 5 iterations. iteration 440: trace = 2.485869184419689 (1.00871e-06% change) large trace change predicted (4.25469e-06%) linmin: converged after 4 iterations. iteration 441: trace = 2.485869078657061 (4.25455e-06% change) linmin: converged after 7 iterations. iteration 442: trace = 2.48586903365096 (1.81048e-06% change) linmin: converged after 4 iterations. iteration 443: trace = 2.485868982123268 (2.07282e-06% change) linmin: converged after 16 iterations. iteration 444: trace = 2.485868897687132 (3.39664e-06% change) linmin: converged after 2 iterations. iteration 445: trace = 2.485868839313221 (2.34823e-06% change) linmin: converged after 15 iterations. iteration 446: trace = 2.485868807997463 (1.25975e-06% change) large trace change predicted (3.82986e-06%) linmin: converged after 3 iterations. iteration 447: trace = 2.48586871279462 (3.82976e-06% change) linmin: converged after 4 iterations. iteration 448: trace = 2.485868625976584 (3.49246e-06% change) linmin: converged after 9 iterations. iteration 449: trace = 2.485868605339157 (8.3019e-07% change) large trace change predicted (2.67211e-06%) linmin: converged after 7 iterations. iteration 450: trace = 2.485868538919399 (2.67189e-06% change) linmin: converged after 6 iterations. iteration 451: trace = 2.485868464911386 (2.97715e-06% change) linmin: converged after 7 iterations. iteration 452: trace = 2.485868445030688 (7.99749e-07% change) large trace change predicted (3.58759e-06%) linmin: converged after 7 iterations. iteration 453: trace = 2.485868355861858 (3.58703e-06% change) linmin: converged after 3 iterations. iteration 454: trace = 2.485868296829048 (2.37474e-06% change) linmin: converged after 3 iterations. iteration 455: trace = 2.485868275892737 (8.42213e-07% change) large trace change predicted (1.99635e-06%) linmin: converged after 4 iterations. iteration 456: trace = 2.485868226269529 (1.99621e-06% change) linmin: converged after 5 iterations. iteration 457: trace = 2.485868170410147 (2.24708e-06% change) linmin: converged after 4 iterations. iteration 458: trace = 2.485868158675044 (4.72073e-07% change) large trace change predicted (1.99619e-06%) linmin: converged after 4 iterations. iteration 459: trace = 2.485868109055871 (1.99605e-06% change) linmin: converged after 5 iterations. iteration 460: trace = 2.485868086122145 (9.22564e-07% change) linmin: converged after 5 iterations. iteration 461: trace = 2.485868048043853 (1.53179e-06% change) linmin: converged after 10 iterations. iteration 462: trace = 2.485867982575581 (2.63362e-06% change) linmin: converged after 3 iterations. iteration 463: trace = 2.48586793647038 (1.85469e-06% change) linmin: converged after 3 iterations. iteration 464: trace = 2.485867909443848 (1.08721e-06% change) linmin: converged after 5 iterations. iteration 465: trace = 2.485867867417928 (1.69059e-06% change) linmin: converged after 19 iterations. iteration 466: trace = 2.48586784412008 (9.37212e-07% change) linmin: converged after 9 iterations. iteration 467: trace = 2.485867800039048 (1.77327e-06% change) linmin: converged after 2 iterations. iteration 468: trace = 2.485867735730287 (2.58697e-06% change) linmin: converged after 3 iterations. iteration 469: trace = 2.48586768721785 (1.95153e-06% change) linmin: converged after 5 iterations. iteration 470: trace = 2.485867651189541 (1.44933e-06% change) large trace change predicted (3.09485e-06%) linmin: converged after 4 iterations. iteration 471: trace = 2.485867574251515 (3.09502e-06% change) linmin: converged after 4 iterations. iteration 472: trace = 2.485867545799923 (1.14453e-06% change) linmin: converged after 3 iterations. iteration 473: trace = 2.485867521216085 (9.88944e-07% change) linmin: converged after 22 iterations. iteration 474: trace = 2.485867485184093 (1.44947e-06% change) linmin: converged after 2 iterations. iteration 475: trace = 2.485867475623517 (3.84597e-07% change) large trace change predicted (8.31112e-07%) linmin: converged after 4 iterations. iteration 476: trace = 2.485867454962826 (8.31126e-07% change) linmin: converged after 6 iterations. iteration 477: trace = 2.4858674357354 (7.73469e-07% change) linmin: converged after 3 iterations. iteration 478: trace = 2.485867427392326 (3.3562e-07% change) large trace change predicted (1.06737e-06%) linmin: converged after 4 iterations. iteration 479: trace = 2.485867400857511 (1.06743e-06% change) linmin: converged after 3 iterations. iteration 480: trace = 2.485867362978427 (1.52378e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.485867356091245 (2.77053e-07% change) large trace change predicted (1.11143e-06%) linmin: converged after 2 iterations. iteration 482: trace = 2.485867328461609 (1.11147e-06% change) linmin: converged after 2 iterations. iteration 483: trace = 2.485867300923098 (1.1078e-06% change) linmin: converged after 16 iterations. iteration 484: trace = 2.485867285029029 (6.39377e-07% change) large trace change predicted (1.41213e-06%) linmin: converged after 26 iterations. iteration 485: trace = 2.485867249922975 (1.41223e-06% change) linmin: converged after 2 iterations. iteration 486: trace = 2.4858672085247 (1.66535e-06% change) linmin: converged after 5 iterations. iteration 487: trace = 2.485867199151796 (3.77048e-07% change) large trace change predicted (1.21558e-06%) linmin: converged after 3 iterations. iteration 488: trace = 2.48586716893436 (1.21557e-06% change) large trace change predicted (3.26806e-06%) linmin: converged after 4 iterations. iteration 489: trace = 2.485867087696451 (3.26799e-06% change) resetting CG direction... linmin: converged after 14 iterations. iteration 490: trace = 2.48586705145413 (1.45793e-06% change) linmin: converged after 2 iterations. iteration 491: trace = 2.485867011454972 (1.60906e-06% change) linmin: converged after 8 iterations. iteration 492: trace = 2.485866994290385 (6.90487e-07% change) linmin: converged after 5 iterations. iteration 493: trace = 2.485866976961429 (6.97099e-07% change) linmin: converged after 23 iterations. iteration 494: trace = 2.485866954238064 (9.14102e-07% change) linmin: converged after 15 iterations. iteration 495: trace = 2.485866941722228 (5.0348e-07% change) linmin: converged after 14 iterations. iteration 496: trace = 2.485866920422585 (8.5683e-07% change) linmin: converged after 3 iterations. iteration 497: trace = 2.485866891434807 (1.1661e-06% change) linmin: converged after 3 iterations. iteration 498: trace = 2.485866884014611 (2.98495e-07% change) linmin: converged after 5 iterations. iteration 499: trace = 2.485866870585524 (5.40217e-07% change) linmin: converged after 3 iterations. iteration 500: trace = 2.485866846281901 (9.77672e-07% change) linmin: converged after 4 iterations. iteration 501: trace = 2.485866839635868 (2.67353e-07% change) large trace change predicted (8.23966e-07%) linmin: converged after 6 iterations. iteration 502: trace = 2.485866819154948 (8.23894e-07% change) linmin: converged after 3 iterations. iteration 503: trace = 2.485866803223284 (6.4089e-07% change) linmin: converged after 4 iterations. iteration 504: trace = 2.485866795835167 (2.97205e-07% change) large trace change predicted (6.06902e-07%) linmin: converged after 3 iterations. iteration 505: trace = 2.485866780748379 (6.06903e-07% change) large trace change predicted (1.21764e-06%) linmin: converged after 3 iterations. iteration 506: trace = 2.485866750480487 (1.2176e-06% change) linmin: converged after 5 iterations. iteration 507: trace = 2.485866742065748 (3.38503e-07% change) large trace change predicted (1.58056e-06%) linmin: converged after 23 iterations. iteration 508: trace = 2.48586670277603 (1.58052e-06% change) linmin: converged after 4 iterations. iteration 509: trace = 2.485866676004923 (1.07693e-06% change) linmin: converged after 5 iterations. iteration 510: trace = 2.485866659271145 (6.73157e-07% change) large trace change predicted (1.55223e-06%) linmin: converged after 18 iterations. iteration 511: trace = 2.485866620685181 (1.55221e-06% change) linmin: converged after 2 iterations. iteration 512: trace = 2.4858666022771 (7.4051e-07% change) linmin: converged after 3 iterations. iteration 513: trace = 2.485866586453271 (6.36552e-07% change) linmin: converged after 2 iterations. iteration 514: trace = 2.485866561842661 (9.90021e-07% change) linmin: converged after 3 iterations. iteration 515: trace = 2.485866551316147 (4.23455e-07% change) linmin: converged after 13 iterations. iteration 516: trace = 2.48586653593523 (6.18735e-07% change) linmin: converged after 17 iterations. iteration 517: trace = 2.485866514670382 (8.5543e-07% change) linmin: converged after 3 iterations. iteration 518: trace = 2.485866487869878 (1.07812e-06% change) linmin: converged after 8 iterations. iteration 519: trace = 2.485866481456671 (2.57987e-07% change) large trace change predicted (8.10035e-07%) linmin: converged after 2 iterations. iteration 520: trace = 2.485866461319711 (8.10058e-07% change) linmin: converged after 5 iterations. iteration 521: trace = 2.48586644345991 (7.18454e-07% change) linmin: converged after 4 iterations. iteration 522: trace = 2.485866437522689 (2.38839e-07% change) large trace change predicted (8.83552e-07%) linmin: converged after 2 iterations. iteration 523: trace = 2.485866415558425 (8.83566e-07% change) linmin: converged after 3 iterations. iteration 524: trace = 2.485866399353666 (6.51876e-07% change) linmin: converged after 3 iterations. iteration 525: trace = 2.48586638376651 (6.27031e-07% change) large trace change predicted (1.3763e-06%) linmin: converged after 2 iterations. iteration 526: trace = 2.485866349552724 (1.37633e-06% change) linmin: converged after 2 iterations. iteration 527: trace = 2.48586631890304 (1.23296e-06% change) linmin: converged after 16 iterations. iteration 528: trace = 2.485866312245157 (2.67829e-07% change) large trace change predicted (1.50525e-06%) linmin: converged after 3 iterations. iteration 529: trace = 2.485866274825823 (1.50528e-06% change) linmin: converged after 2 iterations. iteration 530: trace = 2.485866259013461 (6.36091e-07% change) linmin: converged after 2 iterations. iteration 531: trace = 2.485866249989328 (3.63018e-07% change) large trace change predicted (9.81011e-07%) linmin: converged after 3 iterations. iteration 532: trace = 2.485866225602305 (9.81027e-07% change) linmin: converged after 4 iterations. iteration 533: trace = 2.485866204198363 (8.61025e-07% change) linmin: converged after 3 iterations. iteration 534: trace = 2.485866196383652 (3.14366e-07% change) large trace change predicted (8.3156e-07%) linmin: converged after 12 iterations. iteration 535: trace = 2.485866175711981 (8.31568e-07% change) linmin: converged after 17 iterations. iteration 536: trace = 2.485866166363346 (3.76072e-07% change) linmin: converged after 2 iterations. iteration 537: trace = 2.485866149535446 (6.76943e-07% change) linmin: converged after 2 iterations. iteration 538: trace = 2.48586613386482 (6.30389e-07% change) linmin: converged after 3 iterations. iteration 539: trace = 2.485866126395097 (3.00488e-07% change) large trace change predicted (6.23947e-07%) linmin: converged after 2 iterations. iteration 540: trace = 2.485866110884603 (6.23947e-07% change) linmin: converged after 3 iterations. iteration 541: trace = 2.485866093526386 (6.98276e-07% change) linmin: converged after 32 iterations. iteration 542: trace = 2.485866087461174 (2.43988e-07% change) large trace change predicted (5.72058e-07%) linmin: converged after 3 iterations. iteration 543: trace = 2.485866073240847 (5.72047e-07% change) linmin: converged after 4 iterations. iteration 544: trace = 2.485866054208752 (7.65612e-07% change) linmin: converged after 2 iterations. iteration 545: trace = 2.48586604669703 (3.02177e-07% change) large trace change predicted (1.0997e-06%) linmin: converged after 4 iterations. iteration 546: trace = 2.485866019361911 (1.09962e-06% change) linmin: converged after 4 iterations. iteration 547: trace = 2.485865985769868 (1.35132e-06% change) linmin: converged after 8 iterations. iteration 548: trace = 2.485865965533403 (8.14061e-07% change) linmin: converged after 5 iterations. iteration 549: trace = 2.48586595601095 (3.83064e-07% change) large trace change predicted (8.58414e-07%) linmin: converged after 3 iterations. iteration 550: trace = 2.485865934672962 (8.58372e-07% change) linmin: converged after 12 iterations. iteration 551: trace = 2.48586592202279 (5.08884e-07% change) linmin: converged after 3 iterations. iteration 552: trace = 2.485865910395915 (4.67719e-07% change) linmin: converged after 5 iterations. iteration 553: trace = 2.485865895443274 (6.01506e-07% change) linmin: converged after 4 iterations. iteration 554: trace = 2.485865889095998 (2.55335e-07% change) large trace change predicted (5.28495e-07%) linmin: converged after 19 iterations. iteration 555: trace = 2.485865875957902 (5.28512e-07% change) linmin: converged after 3 iterations. iteration 556: trace = 2.485865856400884 (7.86729e-07% change) linmin: converged after 3 iterations. iteration 557: trace = 2.485865853003848 (1.36654e-07% change) linmin: converged after 3 iterations. iteration 558: trace = 2.485865846841118 (2.47911e-07% change) linmin: converged after 4 iterations. iteration 559: trace = 2.485865837317436 (3.83113e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.485865832535794 (1.92353e-07% change) linmin: converged after 12 iterations. iteration 561: trace = 2.485865828470029 (1.63555e-07% change) linmin: converged after 5 iterations. iteration 562: trace = 2.485865821664439 (2.73771e-07% change) linmin: converged after 3 iterations. iteration 563: trace = 2.485865812469606 (3.69885e-07% change) linmin: converged after 4 iterations. iteration 564: trace = 2.485865803795324 (3.48944e-07% change) linmin: converged after 4 iterations. iteration 565: trace = 2.485865791142242 (5.09001e-07% change) linmin: converged after 3 iterations. iteration 566: trace = 2.485865785820024 (2.14099e-07% change) linmin: converged after 3 iterations. iteration 567: trace = 2.48586577555359 (4.12992e-07% change) linmin: converged after 24 iterations. iteration 568: trace = 2.485865764565244 (4.42033e-07% change) linmin: converged after 4 iterations. iteration 569: trace = 2.485865761216048 (1.3473e-07% change) large trace change predicted (5.21726e-07%) linmin: converged after 4 iterations. iteration 570: trace = 2.485865748246571 (5.21729e-07% change) linmin: converged after 5 iterations. iteration 571: trace = 2.485865732914969 (6.16751e-07% change) linmin: converged after 7 iterations. iteration 572: trace = 2.485865726011617 (2.77704e-07% change) large trace change predicted (5.73992e-07%) linmin: converged after 10 iterations. iteration 573: trace = 2.485865711742445 (5.74012e-07% change) linmin: converged after 4 iterations. iteration 574: trace = 2.48586569629236 (6.21517e-07% change) linmin: converged after 20 iterations. iteration 575: trace = 2.485865691020244 (2.12084e-07% change) large trace change predicted (5.71401e-07%) linmin: converged after 8 iterations. iteration 576: trace = 2.48586567681549 (5.71421e-07% change) linmin: converged after 2 iterations. iteration 577: trace = 2.485865671547048 (2.11936e-07% change) linmin: converged after 13 iterations. iteration 578: trace = 2.485865664120564 (2.98748e-07% change) linmin: converged after 13 iterations. iteration 579: trace = 2.485865657061746 (2.83958e-07% change) linmin: converged after 23 iterations. iteration 580: trace = 2.485865647375333 (3.8966e-07% change) linmin: converged after 4 iterations. iteration 581: trace = 2.485865643293399 (1.64206e-07% change) large trace change predicted (3.4719e-07%) linmin: converged after 4 iterations. iteration 582: trace = 2.485865634662713 (3.4719e-07% change) linmin: converged after 4 iterations. iteration 583: trace = 2.485865626146151 (3.42599e-07% change) linmin: converged after 4 iterations. iteration 584: trace = 2.485865623363285 (1.11948e-07% change) large trace change predicted (4.06173e-07%) linmin: converged after 12 iterations. iteration 585: trace = 2.485865613266451 (4.0617e-07% change) linmin: converged after 5 iterations. iteration 586: trace = 2.485865603246197 (4.03089e-07% change) linmin: converged after 3 iterations. iteration 587: trace = 2.48586560075046 (1.00397e-07% change) large trace change predicted (3.3628e-07%) linmin: converged after 5 iterations. iteration 588: trace = 2.485865592391096 (3.36276e-07% change) linmin: converged after 3 iterations. iteration 589: trace = 2.48586558499926 (2.97355e-07% change) linmin: converged after 3 iterations. iteration 590: trace = 2.485865580950078 (1.62888e-07% change) linmin: converged after 4 iterations. iteration 591: trace = 2.485865573900574 (2.83583e-07% change) linmin: converged after 4 iterations. iteration 592: trace = 2.485865565190939 (3.50366e-07% change) linmin: converged after 4 iterations. iteration 593: trace = 2.485865562154281 (1.22157e-07% change) large trace change predicted (3.66057e-07%) linmin: converged after 22 iterations. iteration 594: trace = 2.485865553054825 (3.66048e-07% change) linmin: converged after 5 iterations. iteration 595: trace = 2.485865546876433 (2.48541e-07% change) linmin: converged after 3 iterations. iteration 596: trace = 2.485865545327739 (6.23e-08% change) large trace change predicted (2.94303e-07%) linmin: converged after 8 iterations. iteration 597: trace = 2.485865538011848 (2.943e-07% change) linmin: converged after 3 iterations. iteration 598: trace = 2.485865532439617 (2.24157e-07% change) linmin: converged after 3 iterations. iteration 599: trace = 2.485865530879778 (6.27483e-08% change) large trace change predicted (1.9054e-07%) linmin: converged after 19 iterations. iteration 600: trace = 2.485865526143306 (1.90536e-07% change) linmin: converged after 4 iterations. iteration 601: trace = 2.485865519514387 (2.66664e-07% change) linmin: converged after 21 iterations. iteration 602: trace = 2.485865517792921 (6.92502e-08% change) large trace change predicted (3.5649e-07%) linmin: converged after 4 iterations. iteration 603: trace = 2.485865508931579 (3.56469e-07% change) linmin: converged after 10 iterations. iteration 604: trace = 2.485865505825093 (1.24966e-07% change) linmin: converged after 5 iterations. iteration 605: trace = 2.485865502809769 (1.21299e-07% change) linmin: converged after 5 iterations. iteration 606: trace = 2.485865497336313 (2.20183e-07% change) linmin: converged after 2 iterations. iteration 607: trace = 2.485865492823016 (1.81558e-07% change) linmin: converged after 20 iterations. iteration 608: trace = 2.485865488722305 (1.64961e-07% change) linmin: converged after 3 iterations. iteration 609: trace = 2.485865481002659 (3.10542e-07% change) linmin: converged after 3 iterations. iteration 610: trace = 2.485865476332564 (1.87866e-07% change) linmin: converged after 3 iterations. iteration 611: trace = 2.485865471719727 (1.85563e-07% change) linmin: converged after 11 iterations. iteration 612: trace = 2.485865465935768 (2.32674e-07% change) linmin: converged after 2 iterations. iteration 613: trace = 2.485865460847018 (2.04707e-07% change) linmin: converged after 6 iterations. iteration 614: trace = 2.485865459651946 (4.80747e-08% change) large trace change predicted (1.15871e-07%) linmin: converged after 4 iterations. iteration 615: trace = 2.485865456771553 (1.15871e-07% change) linmin: converged after 4 iterations. iteration 616: trace = 2.485865454238791 (1.01887e-07% change) linmin: converged after 6 iterations. iteration 617: trace = 2.485865453182063 (4.25094e-08% change) linmin: converged after 9 iterations. iteration 618: trace = 2.485865451200249 (7.97233e-08% change) large trace change predicted (1.7215e-07%) linmin: converged after 25 iterations. iteration 619: trace = 2.485865446920664 (1.72157e-07% change) linmin: converged after 17 iterations. iteration 620: trace = 2.485865445904489 (4.08781e-08% change) large trace change predicted (1.5042e-07%) linmin: converged after 7 iterations. iteration 621: trace = 2.485865442165172 (1.50423e-07% change) linmin: converged after 4 iterations. iteration 622: trace = 2.485865440019924 (8.62978e-08% change) linmin: converged after 4 iterations. iteration 623: trace = 2.485865438700124 (5.30922e-08% change) large trace change predicted (1.71994e-07%) linmin: converged after 15 iterations. iteration 624: trace = 2.485865434424522 (1.71997e-07% change) linmin: converged after 7 iterations. iteration 625: trace = 2.485865429847734 (1.84112e-07% change) linmin: converged after 2 iterations. iteration 626: trace = 2.48586542855083 (5.21711e-08% change) large trace change predicted (1.32172e-07%) linmin: converged after 3 iterations. iteration 627: trace = 2.485865425265205 (1.32172e-07% change) linmin: converged after 9 iterations. iteration 628: trace = 2.48586542142591 (1.54445e-07% change) linmin: converged after 4 iterations. iteration 629: trace = 2.485865418913268 (1.01077e-07% change) resetting CG direction... linmin: converged after 2 iterations. iteration 630: trace = 2.485865416646905 (9.117e-08% change) linmin: converged after 2 iterations. iteration 631: trace = 2.485865413651152 (1.20511e-07% change) linmin: converged after 6 iterations. iteration 632: trace = 2.485865410621813 (1.21863e-07% change) linmin: converged after 2 iterations. iteration 633: trace = 2.485865409696673 (3.7216e-08% change) large trace change predicted (1.34303e-07%) linmin: converged after 13 iterations. iteration 634: trace = 2.485865406358128 (1.34301e-07% change) linmin: converged after 13 iterations. iteration 635: trace = 2.485865403494793 (1.15185e-07% change) linmin: converged after 21 iterations. iteration 636: trace = 2.48586540266055 (3.35594e-08% change) large trace change predicted (8.59468e-08%) linmin: converged after 16 iterations. iteration 637: trace = 2.485865400524063 (8.59454e-08% change) linmin: converged after 22 iterations. iteration 638: trace = 2.485865397855004 (1.07369e-07% change) linmin: converged after 8 iterations. iteration 639: trace = 2.485865397150681 (2.83331e-08% change) large trace change predicted (1.04359e-07%) linmin: converged after 5 iterations. iteration 640: trace = 2.485865394556531 (1.04356e-07% change) linmin: converged after 34 iterations. iteration 641: trace = 2.485865392438922 (8.5186e-08% change) linmin: converged after 8 iterations. iteration 642: trace = 2.485865391660318 (3.13212e-08% change) large trace change predicted (7.14557e-08%) linmin: converged after 9 iterations. iteration 643: trace = 2.485865389884046 (7.14549e-08% change) linmin: converged after 4 iterations. iteration 644: trace = 2.485865387705678 (8.76302e-08% change) linmin: converged after 4 iterations. iteration 645: trace = 2.48586538687388 (3.34611e-08% change) large trace change predicted (1.71087e-07%) linmin: converged after 6 iterations. iteration 646: trace = 2.485865382620946 (1.71085e-07% change) linmin: converged after 4 iterations. iteration 647: trace = 2.485865380397176 (8.94566e-08% change) linmin: converged after 3 iterations. iteration 648: trace = 2.485865377413319 (1.20033e-07% change) linmin: converged after 3 iterations. iteration 649: trace = 2.485865373302482 (1.65368e-07% change) linmin: converged after 4 iterations. iteration 650: trace = 2.485865371349692 (7.85557e-08% change) linmin: converged after 12 iterations. iteration 651: trace = 2.485865367563125 (1.52324e-07% change) linmin: converged after 2 iterations. iteration 652: trace = 2.485865363953997 (1.45186e-07% change) linmin: converged after 3 iterations. iteration 653: trace = 2.485865361836142 (8.51959e-08% change) linmin: converged after 4 iterations. iteration 654: trace = 2.485865360963949 (3.50861e-08% change) large trace change predicted (1.0997e-07%) linmin: converged after 13 iterations. iteration 655: trace = 2.48586535823022 (1.09971e-07% change) linmin: converged after 19 iterations. iteration 656: trace = 2.485865354241821 (1.60443e-07% change) linmin: converged after 4 iterations. iteration 657: trace = 2.485865353488147 (3.03184e-08% change) large trace change predicted (1.1773e-07%) linmin: converged after 12 iterations. iteration 658: trace = 2.48586535056147 (1.17733e-07% change) linmin: converged after 5 iterations. iteration 659: trace = 2.485865347896132 (1.0722e-07% change) linmin: converged after 4 iterations. iteration 660: trace = 2.485865347081608 (3.27662e-08% change) large trace change predicted (7.67524e-08%) linmin: converged after 7 iterations. iteration 661: trace = 2.485865345173625 (7.67533e-08% change) linmin: converged after 4 iterations. iteration 662: trace = 2.485865342649419 (1.01542e-07% change) linmin: converged after 3 iterations. iteration 663: trace = 2.485865341899587 (3.01638e-08% change) large trace change predicted (1.26353e-07%) linmin: converged after 3 iterations. iteration 664: trace = 2.485865338758581 (1.26355e-07% change) linmin: converged after 5 iterations. iteration 665: trace = 2.485865335937942 (1.13467e-07% change) linmin: converged after 3 iterations. iteration 666: trace = 2.485865334578763 (5.46763e-08% change) large trace change predicted (1.72869e-07%) linmin: converged after 10 iterations. iteration 667: trace = 2.485865330281407 (1.72872e-07% change) linmin: converged after 4 iterations. iteration 668: trace = 2.485865327224932 (1.22954e-07% change) linmin: converged after 4 iterations. iteration 669: trace = 2.485865325799202 (5.73535e-08% change) linmin: converged after 6 iterations. iteration 670: trace = 2.485865323392935 (9.6798e-08% change) linmin: converged after 5 iterations. iteration 671: trace = 2.485865321359776 (8.17888e-08% change) linmin: converged after 12 iterations. iteration 672: trace = 2.485865320501256 (3.4536e-08% change) large trace change predicted (1.32956e-07%) linmin: converged after 3 iterations. iteration 673: trace = 2.485865317196132 (1.32957e-07% change) linmin: converged after 5 iterations. iteration 674: trace = 2.485865315320753 (7.54417e-08% change) linmin: converged after 7 iterations. iteration 675: trace = 2.485865314148382 (4.71615e-08% change) linmin: converged after 4 iterations. iteration 676: trace = 2.485865311819438 (9.36874e-08% change) linmin: converged after 22 iterations. iteration 677: trace = 2.485865310110546 (6.87444e-08% change) linmin: converged after 4 iterations. iteration 678: trace = 2.485865308955336 (4.64711e-08% change) large trace change predicted (1.04708e-07%) linmin: converged after 4 iterations. iteration 679: trace = 2.485865306352453 (1.04707e-07% change) linmin: converged after 5 iterations. iteration 680: trace = 2.48586530557857 (3.11313e-08% change) linmin: converged after 5 iterations. iteration 681: trace = 2.48586530408214 (6.01976e-08% change) linmin: converged after 3 iterations. iteration 682: trace = 2.485865301823077 (9.08763e-08% change) linmin: converged after 3 iterations. iteration 683: trace = 2.485865299046039 (1.11713e-07% change) linmin: converged after 4 iterations. iteration 684: trace = 2.485865297830557 (4.88957e-08% change) large trace change predicted (1.03792e-07%) linmin: converged after 6 iterations. iteration 685: trace = 2.485865295250485 (1.0379e-07% change) linmin: converged after 4 iterations. iteration 686: trace = 2.485865291425113 (1.53885e-07% change) linmin: converged after 4 iterations. iteration 687: trace = 2.485865290119141 (5.25359e-08% change) linmin: converged after 18 iterations. iteration 688: trace = 2.485865288162502 (7.87106e-08% change) linmin: converged after 4 iterations. iteration 689: trace = 2.485865285466643 (1.08448e-07% change) linmin: converged after 24 iterations. iteration 690: trace = 2.485865284994555 (1.89909e-08% change) large trace change predicted (7.50887e-08%) linmin: converged after 4 iterations. iteration 691: trace = 2.485865283127945 (7.50889e-08% change) linmin: converged after 4 iterations. iteration 692: trace = 2.485865281576188 (6.24232e-08% change) linmin: converged after 23 iterations. iteration 693: trace = 2.485865280776681 (3.21621e-08% change) large trace change predicted (7.11555e-08%) linmin: converged after 3 iterations. iteration 694: trace = 2.485865279007828 (7.11564e-08% change) linmin: converged after 4 iterations. iteration 695: trace = 2.485865276875339 (8.57846e-08% change) linmin: converged after 4 iterations. iteration 696: trace = 2.485865276348011 (2.12131e-08% change) linmin: converged after 3 iterations. iteration 697: trace = 2.485865275338147 (4.06242e-08% change) linmin: converged after 20 iterations. iteration 698: trace = 2.485865274541967 (3.20283e-08% change) linmin: converged after 6 iterations. iteration 699: trace = 2.485865274175461 (1.47436e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 700: trace = 2.485865273823788 (1.41469e-08% change) large trace change predicted (2.83514e-08%) linmin: converged after 2 iterations. iteration 701: trace = 2.485865273119012 (2.83513e-08% change) linmin: converged after 4 iterations. iteration 702: trace = 2.485865272208091 (3.6644e-08% change) linmin: converged after 4 iterations. iteration 703: trace = 2.485865271763816 (1.78721e-08% change) large trace change predicted (7.23329e-08%) linmin: converged after 15 iterations. iteration 704: trace = 2.485865269965761 (7.23311e-08% change) linmin: converged after 3 iterations. iteration 705: trace = 2.485865268589937 (5.53459e-08% change) linmin: converged after 6 iterations. iteration 706: trace = 2.485865267897747 (2.7845e-08% change) linmin: converged after 4 iterations. iteration 707: trace = 2.485865266678256 (4.9057e-08% change) linmin: converged after 3 iterations. iteration 708: trace = 2.485865265738638 (3.77984e-08% change) linmin: converged after 4 iterations. iteration 709: trace = 2.485865265042296 (2.8012e-08% change) large trace change predicted (6.59732e-08%) linmin: converged after 7 iterations. iteration 710: trace = 2.485865263402279 (6.59737e-08% change) linmin: converged after 3 iterations. iteration 711: trace = 2.485865262664604 (2.96748e-08% change) large trace change predicted (6.4901e-08%) linmin: converged after 5 iterations. iteration 712: trace = 2.485865261051238 (6.49016e-08% change) linmin: converged after 16 iterations. iteration 713: trace = 2.485865258961701 (8.40567e-08% change) linmin: converged after 3 iterations. iteration 714: trace = 2.485865258312344 (2.6122e-08% change) large trace change predicted (6.81535e-08%) linmin: converged after 3 iterations. iteration 715: trace = 2.485865256618103 (6.8155e-08% change) linmin: converged after 12 iterations. iteration 716: trace = 2.485865254782683 (7.38342e-08% change) linmin: converged after 4 iterations. iteration 717: trace = 2.48586525423637 (2.19768e-08% change) linmin: converged after 12 iterations. iteration 718: trace = 2.485865253216507 (4.10265e-08% change) linmin: converged after 4 iterations. iteration 719: trace = 2.485865252291126 (3.72257e-08% change) linmin: converged after 4 iterations. iteration 720: trace = 2.485865251654409 (2.56135e-08% change) linmin: converged after 2 iterations. iteration 721: trace = 2.485865250649675 (4.04179e-08% change) linmin: converged after 3 iterations. iteration 722: trace = 2.485865249360473 (5.18613e-08% change) linmin: converged after 6 iterations. iteration 723: trace = 2.485865248698806 (2.66172e-08% change) linmin: converged after 5 iterations. iteration 724: trace = 2.485865248043105 (2.63772e-08% change) linmin: converged after 6 iterations. iteration 725: trace = 2.48586524688331 (4.66556e-08% change) linmin: converged after 5 iterations. iteration 726: trace = 2.485865245722382 (4.67012e-08% change) linmin: converged after 4 iterations. iteration 727: trace = 2.4858652453281 (1.58609e-08% change) large trace change predicted (3.85141e-08%) linmin: converged after 4 iterations. iteration 728: trace = 2.485865244370694 (3.8514e-08% change) linmin: converged after 4 iterations. iteration 729: trace = 2.485865243505906 (3.47882e-08% change) linmin: converged after 21 iterations. iteration 730: trace = 2.485865243191266 (1.26572e-08% change) large trace change predicted (4.47433e-08%) linmin: converged after 5 iterations. iteration 731: trace = 2.485865242079013 (4.47431e-08% change) linmin: converged after 7 iterations. iteration 732: trace = 2.485865240901415 (4.73718e-08% change) linmin: converged after 4 iterations. iteration 733: trace = 2.485865240458483 (1.7818e-08% change) large trace change predicted (4.21842e-08%) linmin: converged after 4 iterations. iteration 734: trace = 2.485865239409844 (4.2184e-08% change) linmin: converged after 4 iterations. iteration 735: trace = 2.48586523870387 (2.83995e-08% change) linmin: converged after 4 iterations. iteration 736: trace = 2.485865238434894 (1.08202e-08% change) large trace change predicted (3.12288e-08%) linmin: converged after 4 iterations. iteration 737: trace = 2.485865237658593 (3.12286e-08% change) linmin: converged after 4 iterations. iteration 738: trace = 2.485865236938108 (2.89833e-08% change) linmin: converged after 21 iterations. iteration 739: trace = 2.485865236722877 (8.65817e-09% change) large trace change predicted (2.17105e-08%) linmin: converged after 3 iterations. iteration 740: trace = 2.485865236183185 (2.17104e-08% change) linmin: converged after 5 iterations. iteration 741: trace = 2.485865235296961 (3.56505e-08% change) linmin: converged after 6 iterations. iteration 742: trace = 2.485865235092146 (8.23919e-09% change) large trace change predicted (4.52065e-08%) linmin: converged after 4 iterations. iteration 743: trace = 2.485865233968389 (4.52059e-08% change) linmin: converged after 25 iterations. iteration 744: trace = 2.485865233580536 (1.56023e-08% change) linmin: converged after 4 iterations. iteration 745: trace = 2.48586523310394 (1.91723e-08% change) linmin: converged after 34 iterations. iteration 746: trace = 2.485865232504769 (2.41031e-08% change) linmin: converged after 18 iterations. iteration 747: trace = 2.485865232065057 (1.76885e-08% change) linmin: converged after 10 iterations. iteration 748: trace = 2.485865231553747 (2.05687e-08% change) large trace change predicted (4.36104e-08%) linmin: converged after 15 iterations. iteration 749: trace = 2.485865230469647 (4.36106e-08% change) linmin: converged after 2 iterations. iteration 750: trace = 2.485865229774106 (2.79798e-08% change) linmin: converged after 4 iterations. iteration 751: trace = 2.485865229409716 (1.46585e-08% change) linmin: converged after 4 iterations. iteration 752: trace = 2.485865228684415 (2.9177e-08% change) linmin: converged after 4 iterations. iteration 753: trace = 2.485865228113994 (2.29465e-08% change) linmin: converged after 18 iterations. iteration 754: trace = 2.485865227939327 (7.02642e-09% change) large trace change predicted (1.69042e-08%) linmin: converged after 2 iterations. iteration 755: trace = 2.48586522751911 (1.69043e-08% change) linmin: converged after 5 iterations. iteration 756: trace = 2.485865227163551 (1.43032e-08% change) linmin: converged after 15 iterations. iteration 757: trace = 2.485865227045311 (4.75651e-09% change) large trace change predicted (1.28777e-08%) linmin: converged after 10 iterations. iteration 758: trace = 2.48586522672519 (1.28776e-08% change) linmin: converged after 8 iterations. iteration 759: trace = 2.485865226279563 (1.79265e-08% change) linmin: converged after 7 iterations. iteration 760: trace = 2.485865226171457 (4.34881e-09% change) large trace change predicted (1.76957e-08%) linmin: converged after 4 iterations. iteration 761: trace = 2.485865225731563 (1.76958e-08% change) linmin: converged after 3 iterations. iteration 762: trace = 2.485865225412007 (1.28549e-08% change) linmin: converged after 15 iterations. iteration 763: trace = 2.485865225265318 (5.90094e-09% change) large trace change predicted (1.72206e-08%) linmin: converged after 4 iterations. iteration 764: trace = 2.485865224837233 (1.72207e-08% change) linmin: converged after 13 iterations. iteration 765: trace = 2.485865224374189 (1.86271e-08% change) linmin: converged after 2 iterations. iteration 766: trace = 2.485865224189368 (7.43486e-09% change) large trace change predicted (2.38169e-08%) linmin: converged after 4 iterations. iteration 767: trace = 2.485865223597313 (2.38169e-08% change) linmin: converged after 3 iterations. iteration 768: trace = 2.485865222996705 (2.41609e-08% change) linmin: converged after 4 iterations. iteration 769: trace = 2.485865222166867 (3.33823e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 770: trace = 2.485865221429924 (2.96453e-08% change) linmin: converged after 2 iterations. iteration 771: trace = 2.485865220962288 (1.88118e-08% change) linmin: converged after 16 iterations. iteration 772: trace = 2.485865220478856 (1.94472e-08% change) linmin: converged after 5 iterations. iteration 773: trace = 2.485865220391524 (3.51312e-09% change) large trace change predicted (1.52915e-08%) linmin: converged after 9 iterations. iteration 774: trace = 2.485865220011402 (1.52913e-08% change) linmin: converged after 32 iterations. iteration 775: trace = 2.485865219698229 (1.25982e-08% change) linmin: converged after 28 iterations. iteration 776: trace = 2.485865219603629 (3.80551e-09% change) large trace change predicted (1.18472e-08%) linmin: converged after 6 iterations. iteration 777: trace = 2.485865219309129 (1.1847e-08% change) linmin: converged after 4 iterations. iteration 778: trace = 2.485865218992294 (1.27455e-08% change) linmin: converged after 5 iterations. iteration 779: trace = 2.485865218899248 (3.743e-09% change) large trace change predicted (1.25643e-08%) linmin: converged after 4 iterations. iteration 780: trace = 2.48586521858692 (1.25642e-08% change) linmin: converged after 15 iterations. iteration 781: trace = 2.485865218400516 (7.49853e-09% change) linmin: converged after 4 iterations. iteration 782: trace = 2.485865218232064 (6.77639e-09% change) linmin: converged after 3 iterations. iteration 783: trace = 2.485865218000317 (9.32261e-09% change) linmin: converged after 8 iterations. iteration 784: trace = 2.485865217742317 (1.03787e-08% change) linmin: converged after 4 iterations. iteration 785: trace = 2.485865217619994 (4.92076e-09% change) large trace change predicted (1.72367e-08%) linmin: converged after 5 iterations. iteration 786: trace = 2.485865217191513 (1.72367e-08% change) linmin: converged after 3 iterations. iteration 787: trace = 2.485865216897742 (1.18177e-08% change) linmin: converged after 6 iterations. iteration 788: trace = 2.485865216720867 (7.11523e-09% change) large trace change predicted (2.61417e-08%) linmin: converged after 6 iterations. iteration 789: trace = 2.485865216071022 (2.61416e-08% change) linmin: converged after 4 iterations. iteration 790: trace = 2.485865215692251 (1.5237e-08% change) linmin: converged after 4 iterations. iteration 791: trace = 2.485865215425361 (1.07363e-08% change) linmin: converged after 4 iterations. iteration 792: trace = 2.48586521505004 (1.50982e-08% change) linmin: converged after 21 iterations. iteration 793: trace = 2.485865214725632 (1.30501e-08% change) linmin: converged after 2 iterations. iteration 794: trace = 2.485865214651391 (2.98653e-09% change) large trace change predicted (1.44295e-08%) linmin: converged after 8 iterations. iteration 795: trace = 2.485865214292692 (1.44295e-08% change) linmin: converged after 24 iterations. iteration 796: trace = 2.485865213936652 (1.43226e-08% change) linmin: converged after 2 iterations. iteration 797: trace = 2.485865213771659 (6.63722e-09% change) linmin: converged after 28 iterations. iteration 798: trace = 2.485865213546274 (9.0667e-09% change) linmin: converged after 4 iterations. iteration 799: trace = 2.48586521313063 (1.67203e-08% change) linmin: converged after 4 iterations. iteration 800: trace = 2.485865212946142 (7.4215e-09% change) linmin: converged after 4 iterations. iteration 801: trace = 2.485865212743999 (8.13167e-09% change) linmin: converged after 25 iterations. iteration 802: trace = 2.485865212412701 (1.33273e-08% change) linmin: converged after 4 iterations. iteration 803: trace = 2.485865212238933 (6.99023e-09% change) linmin: converged after 11 iterations. iteration 804: trace = 2.485865212015952 (8.96996e-09% change) linmin: converged after 4 iterations. iteration 805: trace = 2.485865211630988 (1.54861e-08% change) linmin: converged after 4 iterations. iteration 806: trace = 2.485865211416769 (8.61748e-09% change) large trace change predicted (1.76754e-08%) linmin: converged after 4 iterations. iteration 807: trace = 2.485865210977381 (1.76754e-08% change) linmin: converged after 6 iterations. iteration 808: trace = 2.485865210560133 (1.67848e-08% change) linmin: converged after 7 iterations. iteration 809: trace = 2.48586521043131 (5.18223e-09% change) linmin: converged after 4 iterations. iteration 810: trace = 2.485865210195723 (9.47707e-09% change) linmin: converged after 13 iterations. iteration 811: trace = 2.485865209858567 (1.35629e-08% change) linmin: converged after 20 iterations. iteration 812: trace = 2.485865209792818 (2.64489e-09% change) large trace change predicted (1.4758e-08%) linmin: converged after 26 iterations. iteration 813: trace = 2.485865209425954 (1.4758e-08% change) linmin: converged after 6 iterations. iteration 814: trace = 2.485865209161984 (1.06188e-08% change) linmin: converged after 6 iterations. iteration 815: trace = 2.485865209055259 (4.29329e-09% change) large trace change predicted (1.00286e-08%) linmin: converged after 4 iterations. iteration 816: trace = 2.485865208805962 (1.00286e-08% change) linmin: converged after 5 iterations. iteration 817: trace = 2.485865208534115 (1.09357e-08% change) linmin: converged after 18 iterations. iteration 818: trace = 2.485865208416023 (4.75057e-09% change) large trace change predicted (1.16229e-08%) linmin: converged after 4 iterations. iteration 819: trace = 2.485865208127095 (1.16228e-08% change) linmin: converged after 6 iterations. iteration 820: trace = 2.485865207954868 (6.92822e-09% change) linmin: converged after 3 iterations. iteration 821: trace = 2.48586520782063 (5.40005e-09% change) large trace change predicted (1.24263e-08%) linmin: converged after 3 iterations. iteration 822: trace = 2.485865207511729 (1.24263e-08% change) linmin: converged after 4 iterations. iteration 823: trace = 2.485865207164695 (1.39603e-08% change) linmin: converged after 8 iterations. iteration 824: trace = 2.485865206995187 (6.81887e-09% change) linmin: converged after 8 iterations. iteration 825: trace = 2.485865206682293 (1.25869e-08% change) linmin: converged after 6 iterations. iteration 826: trace = 2.485865206293691 (1.56325e-08% change) linmin: converged after 5 iterations. iteration 827: trace = 2.485865205992068 (1.21335e-08% change) linmin: converged after 2 iterations. iteration 828: trace = 2.485865205875275 (4.69831e-09% change) large trace change predicted (1.20292e-08%) linmin: converged after 12 iterations. iteration 829: trace = 2.485865205576243 (1.20293e-08% change) linmin: converged after 5 iterations. iteration 830: trace = 2.485865205412207 (6.59874e-09% change) linmin: converged after 5 iterations. iteration 831: trace = 2.485865205292301 (4.82349e-09% change) linmin: converged after 27 iterations. iteration 832: trace = 2.485865205129659 (6.5427e-09% change) linmin: converged after 4 iterations. iteration 833: trace = 2.48586520492814 (8.10659e-09% change) linmin: converged after 19 iterations. iteration 834: trace = 2.485865204842431 (3.44786e-09% change) large trace change predicted (1.06429e-08%) linmin: converged after 4 iterations. iteration 835: trace = 2.48586520457786 (1.0643e-08% change) linmin: converged after 3 iterations. iteration 836: trace = 2.485865204516301 (2.47633e-09% change) linmin: converged after 4 iterations. iteration 837: trace = 2.485865204398401 (4.74283e-09% change) linmin: converged after 9 iterations. iteration 838: trace = 2.485865204286831 (4.48819e-09% change) linmin: converged after 26 iterations. iteration 839: trace = 2.48586520421722 (2.80024e-09% change) resetting CG direction... linmin: converged after 26 iterations. iteration 840: trace = 2.485865204153087 (2.57993e-09% change) linmin: converged after 3 iterations. iteration 841: trace = 2.485865204050402 (4.13074e-09% change) linmin: converged after 17 iterations. iteration 842: trace = 2.485865203944525 (4.25918e-09% change) linmin: converged after 5 iterations. iteration 843: trace = 2.485865203886889 (2.31855e-09% change) large trace change predicted (8.7277e-09%) linmin: converged after 4 iterations. iteration 844: trace = 2.485865203669931 (8.72765e-09% change) linmin: converged after 4 iterations. iteration 845: trace = 2.485865203591922 (3.13813e-09% change) large trace change predicted (6.28047e-09%) linmin: converged after 22 iterations. iteration 846: trace = 2.485865203435798 (6.28047e-09% change) linmin: converged after 3 iterations. iteration 847: trace = 2.485865203319123 (4.69352e-09% change) linmin: converged after 8 iterations. iteration 848: trace = 2.485865203245807 (2.9493e-09% change) linmin: converged after 8 iterations. iteration 849: trace = 2.485865203103444 (5.72692e-09% change) linmin: converged after 19 iterations. iteration 850: trace = 2.485865202926503 (7.11789e-09% change) linmin: converged after 18 iterations. iteration 851: trace = 2.485865202850136 (3.07205e-09% change) large trace change predicted (8.25837e-09%) linmin: converged after 24 iterations. iteration 852: trace = 2.485865202644842 (8.25843e-09% change) linmin: converged after 25 iterations. iteration 853: trace = 2.485865202406518 (9.58717e-09% change) linmin: converged after 8 iterations. iteration 854: trace = 2.485865202333151 (2.95137e-09% change) large trace change predicted (1.04887e-08%) linmin: converged after 11 iterations. iteration 855: trace = 2.485865202072412 (1.04889e-08% change) linmin: converged after 4 iterations. iteration 856: trace = 2.485865201893428 (7.20007e-09% change) linmin: converged after 12 iterations. iteration 857: trace = 2.485865201845335 (1.93464e-09% change) large trace change predicted (6.49266e-09%) linmin: converged after 24 iterations. iteration 858: trace = 2.485865201683936 (6.49266e-09% change) linmin: converged after 9 iterations. iteration 859: trace = 2.485865201566455 (4.72598e-09% change) linmin: converged after 5 iterations. iteration 860: trace = 2.485865201512768 (2.15968e-09% change) large trace change predicted (6.3624e-09%) linmin: converged after 15 iterations. iteration 861: trace = 2.485865201354605 (6.36249e-09% change) linmin: converged after 4 iterations. iteration 862: trace = 2.485865201198547 (6.27781e-09% change) linmin: converged after 2 iterations. iteration 863: trace = 2.485865201153922 (1.79518e-09% change) large trace change predicted (3.81174e-09%) linmin: converged after 14 iterations. iteration 864: trace = 2.485865201059172 (3.81155e-09% change) linmin: converged after 3 iterations. iteration 865: trace = 2.485865200903537 (6.26078e-09% change) linmin: converged after 17 iterations. iteration 866: trace = 2.485865200779962 (4.97109e-09% change) linmin: converged after 6 iterations. iteration 867: trace = 2.485865200741238 (1.55777e-09% change) large trace change predicted (5.15495e-09%) linmin: converged after 3 iterations. iteration 868: trace = 2.485865200613096 (5.15484e-09% change) linmin: converged after 9 iterations. iteration 869: trace = 2.485865200533626 (3.19687e-09% change) linmin: converged after 4 iterations. iteration 870: trace = 2.48586520049609 (1.50997e-09% change) large trace change predicted (5.96765e-09%) linmin: converged after 4 iterations. iteration 871: trace = 2.485865200347742 (5.96768e-09% change) linmin: converged after 7 iterations. iteration 872: trace = 2.485865200240773 (4.30309e-09% change) linmin: converged after 4 iterations. iteration 873: trace = 2.485865200165366 (3.03344e-09% change) linmin: converged after 19 iterations. iteration 874: trace = 2.485865200045941 (4.80414e-09% change) linmin: converged after 13 iterations. iteration 875: trace = 2.485865199953036 (3.73734e-09% change) linmin: converged after 4 iterations. iteration 876: trace = 2.485865199901697 (2.06522e-09% change) linmin: converged after 7 iterations. iteration 877: trace = 2.485865199808733 (3.73972e-09% change) linmin: converged after 16 iterations. iteration 878: trace = 2.485865199766062 (1.71654e-09% change) linmin: converged after 3 iterations. iteration 879: trace = 2.485865199703458 (2.5184e-09% change) linmin: converged after 2 iterations. iteration 880: trace = 2.48586519961973 (3.36819e-09% change) linmin: converged after 4 iterations. iteration 881: trace = 2.485865199574626 (1.81442e-09% change) linmin: converged after 13 iterations. iteration 882: trace = 2.485865199488615 (3.46001e-09% change) linmin: converged after 15 iterations. iteration 883: trace = 2.485865199367043 (4.89052e-09% change) linmin: converged after 15 iterations. iteration 884: trace = 2.485865199316237 (2.0438e-09% change) linmin: converged after 6 iterations. iteration 885: trace = 2.485865199259857 (2.26803e-09% change) linmin: converged after 25 iterations. iteration 886: trace = 2.485865199197506 (2.50819e-09% change) linmin: converged after 3 iterations. iteration 887: trace = 2.485865199110344 (3.50633e-09% change) linmin: converged after 21 iterations. iteration 888: trace = 2.485865199076256 (1.37125e-09% change) large trace change predicted (4.58928e-09%) linmin: converged after 11 iterations. iteration 889: trace = 2.485865198962173 (4.58927e-09% change) linmin: converged after 10 iterations. iteration 890: trace = 2.485865198930575 (1.27112e-09% change) large trace change predicted (4.23606e-09%) linmin: converged after 3 iterations. iteration 891: trace = 2.485865198825274 (4.23599e-09% change) linmin: converged after 3 iterations. iteration 892: trace = 2.485865198741625 (3.36499e-09% change) linmin: converged after 5 iterations. iteration 893: trace = 2.485865198712244 (1.1819e-09% change) linmin: converged after 6 iterations. iteration 894: trace = 2.485865198654456 (2.32466e-09% change) linmin: converged after 10 iterations. iteration 895: trace = 2.485865198599038 (2.22934e-09% change) linmin: converged after 4 iterations. iteration 896: trace = 2.485865198564379 (1.39426e-09% change) linmin: converged after 18 iterations. iteration 897: trace = 2.485865198547658 (6.72637e-10% change) large trace change predicted (1.88647e-09%) linmin: converged after 29 iterations. iteration 898: trace = 2.485865198500764 (1.88643e-09% change) linmin: converged after 5 iterations. iteration 899: trace = 2.485865198450153 (2.03595e-09% change) linmin: converged after 18 iterations. iteration 900: trace = 2.485865198430223 (8.01708e-10% change) large trace change predicted (1.89283e-09%) linmin: converged after 4 iterations. iteration 901: trace = 2.485865198383169 (1.89286e-09% change) linmin: converged after 13 iterations. iteration 902: trace = 2.485865198341819 (1.66344e-09% change) linmin: converged after 18 iterations. iteration 903: trace = 2.485865198309961 (1.28155e-09% change) linmin: converged after 3 iterations. iteration 904: trace = 2.485865198275564 (1.38372e-09% change) linmin: converged after 17 iterations. iteration 905: trace = 2.48586519821189 (2.5614e-09% change) linmin: converged after 5 iterations. iteration 906: trace = 2.485865198198493 (5.38938e-10% change) large trace change predicted (2.93297e-09%) linmin: converged after 12 iterations. iteration 907: trace = 2.485865198125583 (2.93301e-09% change) linmin: converged after 4 iterations. iteration 908: trace = 2.485865198072467 (2.13669e-09% change) large trace change predicted (6.12863e-09%) linmin: converged after 16 iterations. iteration 909: trace = 2.485865197920116 (6.12871e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 910: trace = 2.485865197793893 (5.07761e-09% change) linmin: converged after 18 iterations. iteration 911: trace = 2.485865197752427 (1.66809e-09% change) linmin: converged after 8 iterations. iteration 912: trace = 2.485865197694383 (2.33495e-09% change) linmin: converged after 3 iterations. iteration 913: trace = 2.485865197678066 (6.5638e-10% change) large trace change predicted (1.45075e-09%) linmin: converged after 18 iterations. iteration 914: trace = 2.485865197642005 (1.45067e-09% change) linmin: converged after 11 iterations. iteration 915: trace = 2.485865197606293 (1.43658e-09% change) linmin: converged after 18 iterations. iteration 916: trace = 2.48586519759573 (4.24927e-10% change) large trace change predicted (1.75207e-09%) linmin: converged after 13 iterations. iteration 917: trace = 2.485865197552173 (1.75219e-09% change) linmin: converged after 22 iterations. iteration 918: trace = 2.48586519752012 (1.28941e-09% change) linmin: converged after 2 iterations. iteration 919: trace = 2.48586519750196 (7.30518e-10% change) large trace change predicted (1.62046e-09%) linmin: converged after 8 iterations. iteration 920: trace = 2.485865197461677 (1.6205e-09% change) linmin: converged after 16 iterations. iteration 921: trace = 2.485865197428264 (1.34413e-09% change) linmin: converged after 4 iterations. iteration 922: trace = 2.485865197415799 (5.01423e-10% change) large trace change predicted (1.08439e-09%) linmin: converged after 5 iterations. iteration 923: trace = 2.485865197388841 (1.08443e-09% change) linmin: converged after 15 iterations. iteration 924: trace = 2.485865197356454 (1.30285e-09% change) linmin: converged after 3 iterations. iteration 925: trace = 2.485865197346682 (3.93128e-10% change) large trace change predicted (2.11469e-09%) linmin: converged after 5 iterations. iteration 926: trace = 2.485865197294114 (2.11467e-09% change) linmin: converged after 3 iterations. iteration 927: trace = 2.485865197255297 (1.56151e-09% change) linmin: converged after 4 iterations. iteration 928: trace = 2.485865197232719 (9.08253e-10% change) large trace change predicted (2.75339e-09%) linmin: converged after 4 iterations. iteration 929: trace = 2.485865197164275 (2.75332e-09% change) linmin: converged after 3 iterations. iteration 930: trace = 2.485865197105785 (2.35291e-09% change) linmin: converged after 17 iterations. iteration 931: trace = 2.485865197088976 (6.76174e-10% change) large trace change predicted (1.5116e-09%) linmin: converged after 4 iterations. iteration 932: trace = 2.485865197051398 (1.51166e-09% change) linmin: converged after 5 iterations. iteration 933: trace = 2.485865197012414 (1.56824e-09% change) linmin: converged after 5 iterations. iteration 934: trace = 2.485865197001615 (4.34413e-10% change) large trace change predicted (1.81096e-09%) linmin: converged after 2 iterations. iteration 935: trace = 2.485865196956596 (1.811e-09% change) linmin: converged after 14 iterations. iteration 936: trace = 2.485865196922018 (1.39099e-09% change) linmin: converged after 13 iterations. iteration 937: trace = 2.485865196908825 (5.30703e-10% change) large trace change predicted (1.69333e-09%) linmin: converged after 5 iterations. iteration 938: trace = 2.48586519686673 (1.6934e-09% change) linmin: converged after 7 iterations. iteration 939: trace = 2.485865196819158 (1.91369e-09% change) linmin: converged after 15 iterations. iteration 940: trace = 2.485865196774903 (1.78028e-09% change) linmin: converged after 2 iterations. iteration 941: trace = 2.485865196764687 (4.10957e-10% change) large trace change predicted (1.67348e-09%) linmin: converged after 13 iterations. iteration 942: trace = 2.485865196723091 (1.67329e-09% change) linmin: converged after 6 iterations. iteration 943: trace = 2.485865196691342 (1.27717e-09% change) linmin: converged after 9 iterations. iteration 944: trace = 2.485865196679311 (4.84005e-10% change) large trace change predicted (2.15226e-09%) linmin: converged after 9 iterations. iteration 945: trace = 2.485865196625811 (2.15215e-09% change) linmin: converged after 3 iterations. iteration 946: trace = 2.485865196584683 (1.65449e-09% change) linmin: converged after 7 iterations. iteration 947: trace = 2.485865196546935 (1.51849e-09% change) linmin: converged after 18 iterations. iteration 948: trace = 2.485865196497801 (1.97655e-09% change) linmin: converged after 18 iterations. iteration 949: trace = 2.4858651964648 (1.32752e-09% change) linmin: converged after 12 iterations. iteration 950: trace = 2.485865196453998 (4.34538e-10% change) large trace change predicted (1.36269e-09%) linmin: converged after 2 iterations. iteration 951: trace = 2.485865196420123 (1.36271e-09% change) linmin: converged after 19 iterations. iteration 952: trace = 2.485865196387584 (1.30897e-09% change) linmin: converged after 8 iterations. iteration 953: trace = 2.485865196375922 (4.69124e-10% change) large trace change predicted (1.1973e-09%) linmin: converged after 12 iterations. iteration 954: trace = 2.485865196346159 (1.1973e-09% change) linmin: converged after 3 iterations. iteration 955: trace = 2.485865196311062 (1.41186e-09% change) linmin: converged after 12 iterations. iteration 956: trace = 2.485865196302623 (3.39463e-10% change) large trace change predicted (1.64979e-09%) linmin: converged after 3 iterations. iteration 957: trace = 2.485865196261613 (1.64976e-09% change) linmin: converged after 16 iterations. iteration 958: trace = 2.485865196226551 (1.41044e-09% change) linmin: converged after 6 iterations. iteration 959: trace = 2.485865196214236 (4.95385e-10% change) large trace change predicted (1.27571e-09%) linmin: converged after 4 iterations. iteration 960: trace = 2.485865196182525 (1.27567e-09% change) linmin: converged after 19 iterations. iteration 961: trace = 2.485865196153991 (1.14783e-09% change) linmin: converged after 13 iterations. iteration 962: trace = 2.485865196142055 (4.80182e-10% change) large trace change predicted (1.51632e-09%) linmin: converged after 4 iterations. iteration 963: trace = 2.48586519610436 (1.51634e-09% change) linmin: converged after 3 iterations. iteration 964: trace = 2.485865196074552 (1.19912e-09% change) linmin: converged after 8 iterations. iteration 965: trace = 2.485865196036561 (1.52826e-09% change) linmin: converged after 19 iterations. iteration 966: trace = 2.485865195994479 (1.69285e-09% change) linmin: converged after 3 iterations. iteration 967: trace = 2.485865195949917 (1.79264e-09% change) linmin: converged after 6 iterations. iteration 968: trace = 2.485865195926942 (9.24224e-10% change) linmin: converged after 8 iterations. iteration 969: trace = 2.485865195901076 (1.0405e-09% change) linmin: converged after 6 iterations. iteration 970: trace = 2.485865195880299 (8.35812e-10% change) linmin: converged after 7 iterations. iteration 971: trace = 2.485865195859493 (8.36991e-10% change) linmin: converged after 2 iterations. iteration 972: trace = 2.485865195851394 (3.25778e-10% change) large trace change predicted (1.08632e-09%) linmin: converged after 17 iterations. iteration 973: trace = 2.48586519582439 (1.08633e-09% change) linmin: converged after 25 iterations. iteration 974: trace = 2.48586519579993 (9.83927e-10% change) linmin: converged after 5 iterations. iteration 975: trace = 2.485865195787961 (4.81522e-10% change) linmin: converged after 2 iterations. iteration 976: trace = 2.485865195769124 (7.57726e-10% change) linmin: converged after 15 iterations. iteration 977: trace = 2.485865195761762 (2.96177e-10% change) linmin: converged after 4 iterations. iteration 978: trace = 2.485865195749165 (5.06729e-10% change) large trace change predicted (1.62937e-09%) linmin: converged after 3 iterations. iteration 979: trace = 2.485865195708661 (1.62939e-09% change) resetting CG direction... linmin: converged after 7 iterations. iteration 980: trace = 2.485865195677635 (1.24807e-09% change) linmin: converged after 9 iterations. iteration 981: trace = 2.485865195671407 (2.50551e-10% change) linmin: converged after 18 iterations. iteration 982: trace = 2.485865195659627 (4.73894e-10% change) linmin: converged after 5 iterations. iteration 983: trace = 2.485865195645059 (5.86012e-10% change) linmin: converged after 9 iterations. iteration 984: trace = 2.48586519563831 (2.71524e-10% change) large trace change predicted (1.03854e-09%) linmin: converged after 6 iterations. iteration 985: trace = 2.485865195612492 (1.03856e-09% change) linmin: converged after 3 iterations. iteration 986: trace = 2.485865195602292 (4.10331e-10% change) linmin: converged after 19 iterations. iteration 987: trace = 2.485865195590256 (4.84166e-10% change) linmin: converged after 2 iterations. iteration 988: trace = 2.485865195577113 (5.2872e-10% change) linmin: converged after 3 iterations. iteration 989: trace = 2.485865195569159 (3.1999e-10% change) linmin: converged after 9 iterations. iteration 990: trace = 2.485865195553546 (6.28047e-10% change) linmin: converged after 11 iterations. iteration 991: trace = 2.485865195527944 (1.02991e-09% change) linmin: converged after 4 iterations. iteration 992: trace = 2.485865195518771 (3.68993e-10% change) large trace change predicted (8.42793e-10%) linmin: converged after 21 iterations. iteration 993: trace = 2.485865195497824 (8.42672e-10% change) linmin: converged after 3 iterations. iteration 994: trace = 2.485865195465563 (1.29777e-09% change) linmin: converged after 4 iterations. iteration 995: trace = 2.485865195455718 (3.9604e-10% change) large trace change predicted (1.1668e-09%) linmin: converged after 4 iterations. iteration 996: trace = 2.485865195426713 (1.16677e-09% change) linmin: converged after 8 iterations. iteration 997: trace = 2.485865195404518 (8.92871e-10% change) linmin: converged after 6 iterations. iteration 998: trace = 2.485865195396322 (3.29709e-10% change) linmin: converged after 3 iterations. iteration 999: trace = 2.485865195385425 (4.38361e-10% change) linmin: converged after 4 iterations. iteration 1000: trace = 2.485865195366563 (7.58744e-10% change) linmin: converged after 3 iterations. iteration 1001: trace = 2.485865195362051 (1.81504e-10% change) large trace change predicted (7.30063e-10%) linmin: converged after 3 iterations. iteration 1002: trace = 2.485865195343902 (7.30089e-10% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.485865195328809 (6.07181e-10% change) linmin: converged after 5 iterations. iteration 1004: trace = 2.485865195314761 (5.65092e-10% change) linmin: converged after 3 iterations. iteration 1005: trace = 2.485865195309231 (2.22485e-10% change) large trace change predicted (5.96937e-10%) linmin: converged after 9 iterations. iteration 1006: trace = 2.485865195294393 (5.96891e-10% change) linmin: converged after 7 iterations. iteration 1007: trace = 2.485865195280462 (5.60394e-10% change) linmin: converged after 12 iterations. iteration 1008: trace = 2.48586519527477 (2.28988e-10% change) linmin: converged after 6 iterations. iteration 1009: trace = 2.485865195266237 (3.43232e-10% change) linmin: converged after 8 iterations. iteration 1010: trace = 2.485865195254774 (4.61156e-10% change) linmin: converged after 5 iterations. iteration 1011: trace = 2.485865195249948 (1.94116e-10% change) large trace change predicted (6.29565e-10%) linmin: converged after 3 iterations. iteration 1012: trace = 2.485865195234298 (6.29583e-10% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.485865195216952 (6.97772e-10% change) linmin: converged after 16 iterations. iteration 1014: trace = 2.485865195211269 (2.28595e-10% change) large trace change predicted (4.96454e-10%) linmin: converged after 4 iterations. iteration 1015: trace = 2.485865195198927 (4.96492e-10% change) linmin: converged after 3 iterations. iteration 1016: trace = 2.485865195183222 (6.31781e-10% change) linmin: converged after 2 iterations. iteration 1017: trace = 2.485865195172468 (4.32609e-10% change) linmin: converged after 4 iterations. iteration 1018: trace = 2.485865195168263 (1.69142e-10% change) linmin: converged after 5 iterations. iteration 1019: trace = 2.485865195159957 (3.34139e-10% change) linmin: converged after 5 iterations. iteration 1020: trace = 2.485865195148889 (4.45221e-10% change) linmin: converged after 4 iterations. iteration 1021: trace = 2.485865195144048 (1.9476e-10% change) large trace change predicted (6.33507e-10%) linmin: converged after 5 iterations. iteration 1022: trace = 2.485865195128299 (6.33549e-10% change) linmin: converged after 4 iterations. iteration 1023: trace = 2.485865195122792 (2.21539e-10% change) linmin: converged after 6 iterations. iteration 1024: trace = 2.485865195116241 (2.63502e-10% change) linmin: converged after 5 iterations. iteration 1025: trace = 2.485865195106445 (3.94075e-10% change) linmin: converged after 2 iterations. iteration 1026: trace = 2.485865195099453 (2.81296e-10% change) linmin: converged after 9 iterations. iteration 1027: trace = 2.485865195097006 (9.84159e-11% change) Finished solving for bands 1 to 10 after 1027 iterations. tmfreqs:, 5, 0.5, 0.166667, 0, 0.527046, 0.210673, 0.351103, 0.364915, 0.453355, 0.500502, 0.507018, 0.510125, 0.616821, 0.642478, 0.646894 elapsed time for k point: 20.631771087646484 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 8 iterations. iteration 1: trace = 2.624860652680282 (2.69643% change) linmin: converged after 4 iterations. iteration 2: trace = 2.61095347142123 (0.531233% change) linmin: converged after 4 iterations. iteration 3: trace = 2.601889779789743 (0.347745% change) linmin: converged after 4 iterations. iteration 4: trace = 2.600356814375749 (0.0589347% change) large trace change predicted (0.1331%) linmin: converged after 4 iterations. iteration 5: trace = 2.596949032329881 (0.131136% change) linmin: converged after 4 iterations. iteration 6: trace = 2.596372247083305 (0.0222126% change) linmin: converged after 4 iterations. iteration 7: trace = 2.595543106670615 (0.0319397% change) linmin: converged after 4 iterations. iteration 8: trace = 2.595152552326201 (0.0150482% change) linmin: converged after 4 iterations. iteration 9: trace = 2.594847575185692 (0.0117525% change) linmin: converged after 4 iterations. iteration 10: trace = 2.594454615420777 (0.015145% change) linmin: converged after 4 iterations. iteration 11: trace = 2.594326474356817 (0.00493916% change) large trace change predicted (0.021647%) linmin: converged after 4 iterations. iteration 12: trace = 2.593777499408894 (0.0211628% change) linmin: converged after 4 iterations. iteration 13: trace = 2.593512190126866 (0.0102292% change) linmin: converged after 4 iterations. iteration 14: trace = 2.593178038431302 (0.012885% change) linmin: converged after 4 iterations. iteration 15: trace = 2.592759784433324 (0.0161303% change) linmin: converged after 4 iterations. iteration 16: trace = 2.592616688053045 (0.00551923% change) large trace change predicted (0.0234741%) linmin: converged after 6 iterations. iteration 17: trace = 2.592031234724554 (0.0225841% change) linmin: converged after 3 iterations. iteration 18: trace = 2.591839053330985 (0.00741459% change) linmin: converged after 4 iterations. iteration 19: trace = 2.5915106214154 (0.0126726% change) linmin: converged after 6 iterations. iteration 20: trace = 2.591143714286459 (0.014159% change) linmin: converged after 4 iterations. iteration 21: trace = 2.591058602969563 (0.00328475% change) large trace change predicted (0.0106646%) linmin: converged after 4 iterations. iteration 22: trace = 2.590787687444196 (0.0104563% change) linmin: converged after 4 iterations. iteration 23: trace = 2.590682421024181 (0.00406319% change) linmin: converged after 4 iterations. iteration 24: trace = 2.590536920399601 (0.00561646% change) linmin: converged after 4 iterations. iteration 25: trace = 2.590316293925538 (0.00851699% change) linmin: converged after 4 iterations. iteration 26: trace = 2.590262962948966 (0.00205888% change) large trace change predicted (0.00488954%) linmin: converged after 3 iterations. iteration 27: trace = 2.590136308886504 (0.00488974% change) linmin: converged after 3 iterations. iteration 28: trace = 2.590064330670108 (0.00277897% change) linmin: converged after 14 iterations. iteration 29: trace = 2.589967238298724 (0.00374872% change) linmin: converged after 3 iterations. iteration 30: trace = 2.589847207903281 (0.00463454% change) linmin: converged after 3 iterations. iteration 31: trace = 2.589779980586766 (0.00259584% change) linmin: converged after 3 iterations. iteration 32: trace = 2.589656419517383 (0.00477122% change) linmin: converged after 3 iterations. iteration 33: trace = 2.589592486808988 (0.0024688% change) large trace change predicted (0.00587326%) linmin: converged after 3 iterations. iteration 34: trace = 2.589438970605918 (0.00592837% change) linmin: converged after 3 iterations. iteration 35: trace = 2.589299600996288 (0.00538238% change) linmin: converged after 3 iterations. iteration 36: trace = 2.589151826989042 (0.00570727% change) linmin: converged after 4 iterations. iteration 37: trace = 2.588877575206658 (0.0105929% change) linmin: converged after 3 iterations. iteration 38: trace = 2.58875906892251 (0.00457762% change) large trace change predicted (0.0103809%) linmin: converged after 3 iterations. iteration 39: trace = 2.588487434661757 (0.0104934% change) linmin: converged after 3 iterations. iteration 40: trace = 2.588238748053028 (0.00960787% change) linmin: converged after 3 iterations. iteration 41: trace = 2.588129638456616 (0.00421568% change) large trace change predicted (0.00966142%) linmin: converged after 3 iterations. iteration 42: trace = 2.587878065150431 (0.00972075% change) linmin: converged after 3 iterations. iteration 43: trace = 2.587755343095147 (0.0047423% change) linmin: converged after 3 iterations. iteration 44: trace = 2.587560065332832 (0.00754651% change) linmin: converged after 3 iterations. iteration 45: trace = 2.58720163258482 (0.0138531% change) linmin: converged after 3 iterations. iteration 46: trace = 2.587078879187969 (0.00474475% change) large trace change predicted (0.0134453%) linmin: converged after 6 iterations. iteration 47: trace = 2.586731065305068 (0.0134452% change) linmin: converged after 4 iterations. iteration 48: trace = 2.586416844767289 (0.0121481% change) linmin: converged after 4 iterations. iteration 49: trace = 2.586172837125543 (0.00943464% change) linmin: converged after 4 iterations. iteration 50: trace = 2.585802131571078 (0.0143352% change) linmin: converged after 3 iterations. iteration 51: trace = 2.585704770651542 (0.00376528% change) large trace change predicted (0.00795964%) linmin: converged after 4 iterations. iteration 52: trace = 2.585500003724942 (0.00791951% change) linmin: converged after 4 iterations. iteration 53: trace = 2.585309253022625 (0.00737798% change) linmin: converged after 6 iterations. iteration 54: trace = 2.585225869855958 (0.00322532% change) large trace change predicted (0.00858095%) linmin: converged after 4 iterations. iteration 55: trace = 2.585005567543416 (0.00852195% change) linmin: converged after 4 iterations. iteration 56: trace = 2.584916594156333 (0.00344196% change) linmin: converged after 4 iterations. iteration 57: trace = 2.584748297540034 (0.00651093% change) linmin: converged after 3 iterations. iteration 58: trace = 2.584504384089056 (0.00943709% change) linmin: converged after 4 iterations. iteration 59: trace = 2.584418875343481 (0.00330857% change) large trace change predicted (0.00842826%) linmin: converged after 4 iterations. iteration 60: trace = 2.584201985347259 (0.00839257% change) linmin: converged after 4 iterations. iteration 61: trace = 2.584099236160222 (0.00397613% change) linmin: converged after 4 iterations. iteration 62: trace = 2.583934541528432 (0.00637359% change) linmin: converged after 4 iterations. iteration 63: trace = 2.583709165523605 (0.00872258% change) linmin: converged after 5 iterations. iteration 64: trace = 2.58361543424183 (0.00362785% change) large trace change predicted (0.00904898%) linmin: converged after 4 iterations. iteration 65: trace = 2.583383200314996 (0.00898912% change) linmin: converged after 4 iterations. iteration 66: trace = 2.583261889879076 (0.00469591% change) linmin: converged after 4 iterations. iteration 67: trace = 2.583112711811625 (0.00577496% change) linmin: converged after 3 iterations. iteration 68: trace = 2.582958490986678 (0.00597053% change) linmin: converged after 4 iterations. iteration 69: trace = 2.58287002538572 (0.00342503% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.58279150414977 (0.00304012% change) linmin: converged after 5 iterations. iteration 71: trace = 2.582689852843646 (0.00393579% change) linmin: converged after 3 iterations. iteration 72: trace = 2.582487500789447 (0.00783524% change) linmin: converged after 4 iterations. iteration 73: trace = 2.58243057544243 (0.00220431% change) large trace change predicted (0.00655188%) linmin: converged after 3 iterations. iteration 74: trace = 2.582260981581936 (0.00656743% change) linmin: converged after 3 iterations. iteration 75: trace = 2.582143178373727 (0.00456212% change) linmin: converged after 3 iterations. iteration 76: trace = 2.58208922270506 (0.00208959% change) linmin: converged after 3 iterations. iteration 77: trace = 2.581989545852164 (0.00386039% change) linmin: converged after 3 iterations. iteration 78: trace = 2.581949608263076 (0.00154679% change) linmin: converged after 3 iterations. iteration 79: trace = 2.581896567403872 (0.00205432% change) linmin: converged after 3 iterations. iteration 80: trace = 2.581814732583181 (0.00316961% change) linmin: converged after 4 iterations. iteration 81: trace = 2.581795181934383 (0.000757247% change) large trace change predicted (0.00246103%) linmin: converged after 3 iterations. iteration 82: trace = 2.581731475205049 (0.00246757% change) linmin: converged after 3 iterations. iteration 83: trace = 2.581679878224125 (0.00199856% change) linmin: converged after 3 iterations. iteration 84: trace = 2.581660393796863 (0.000754722% change) large trace change predicted (0.00226373%) linmin: converged after 3 iterations. iteration 85: trace = 2.581601818762325 (0.00226892% change) linmin: converged after 3 iterations. iteration 86: trace = 2.581512320320921 (0.00346684% change) linmin: converged after 3 iterations. iteration 87: trace = 2.581471324552012 (0.00158807% change) large trace change predicted (0.00460305%) linmin: converged after 3 iterations. iteration 88: trace = 2.581352195216959 (0.00461489% change) linmin: converged after 3 iterations. iteration 89: trace = 2.581296715366523 (0.00214928% change) linmin: converged after 3 iterations. iteration 90: trace = 2.581194709693601 (0.0039518% change) linmin: converged after 3 iterations. iteration 91: trace = 2.581064621599319 (0.00503997% change) linmin: converged after 4 iterations. iteration 92: trace = 2.581038833547416 (0.00099913% change) large trace change predicted (0.00403964%) linmin: converged after 4 iterations. iteration 93: trace = 2.580934698744317 (0.00403469% change) linmin: converged after 4 iterations. iteration 94: trace = 2.580892437308002 (0.00163746% change) linmin: converged after 3 iterations. iteration 95: trace = 2.580844831634145 (0.00184456% change) linmin: converged after 5 iterations. iteration 96: trace = 2.580750279457549 (0.00366368% change) linmin: converged after 3 iterations. iteration 97: trace = 2.580717811904547 (0.00125807% change) large trace change predicted (0.00303292%) linmin: converged after 6 iterations. iteration 98: trace = 2.580639717720611 (0.00302611% change) linmin: converged after 6 iterations. iteration 99: trace = 2.580586740129458 (0.00205291% change) linmin: converged after 4 iterations. iteration 100: trace = 2.580568720326234 (0.000698286% change) large trace change predicted (0.00145401%) linmin: converged after 6 iterations. iteration 101: trace = 2.580531267063505 (0.00145137% change) linmin: converged after 4 iterations. iteration 102: trace = 2.580515892037344 (0.00059581% change) linmin: converged after 3 iterations. iteration 103: trace = 2.580499700546412 (0.000627454% change) linmin: converged after 4 iterations. iteration 104: trace = 2.580473933789784 (0.000998523% change) linmin: converged after 3 iterations. iteration 105: trace = 2.580463164970395 (0.00041732% change) large trace change predicted (0.00116018%) linmin: converged after 4 iterations. iteration 106: trace = 2.580433267683434 (0.00115861% change) linmin: converged after 6 iterations. iteration 107: trace = 2.580404903878936 (0.00109919% change) linmin: converged after 3 iterations. iteration 108: trace = 2.580391268995303 (0.000528402% change) large trace change predicted (0.00162301%) linmin: converged after 4 iterations. iteration 109: trace = 2.580349459242545 (0.0016203% change) linmin: converged after 5 iterations. iteration 110: trace = 2.580298252150032 (0.00198452% change) linmin: converged after 4 iterations. iteration 111: trace = 2.580288511290751 (0.00037751% change) large trace change predicted (0.00143948%) linmin: converged after 7 iterations. iteration 112: trace = 2.580251408467654 (0.00143794% change) linmin: converged after 3 iterations. iteration 113: trace = 2.580236055852969 (0.000595006% change) linmin: converged after 11 iterations. iteration 114: trace = 2.580210138972522 (0.00100444% change) large trace change predicted (0.00205193%) linmin: converged after 3 iterations. iteration 115: trace = 2.580157162214832 (0.00205322% change) linmin: converged after 6 iterations. iteration 116: trace = 2.58014451139726 (0.000490313% change) large trace change predicted (0.00228986%) linmin: converged after 3 iterations. iteration 117: trace = 2.580085368305861 (0.00229227% change) linmin: converged after 3 iterations. iteration 118: trace = 2.580043065668217 (0.0016396% change) linmin: converged after 3 iterations. iteration 119: trace = 2.580025954148756 (0.000663228% change) large trace change predicted (0.00240338%) linmin: converged after 3 iterations. iteration 120: trace = 2.579963856238624 (0.0024069% change) linmin: converged after 3 iterations. iteration 121: trace = 2.579916902023824 (0.00181997% change) linmin: converged after 3 iterations. iteration 122: trace = 2.579904166554184 (0.00049364% change) large trace change predicted (0.00145436%) linmin: converged after 3 iterations. iteration 123: trace = 2.579866603865242 (0.00145598% change) linmin: converged after 3 iterations. iteration 124: trace = 2.579847455128411 (0.00074224% change) linmin: converged after 3 iterations. iteration 125: trace = 2.579816328464902 (0.00120654% change) linmin: converged after 5 iterations. iteration 126: trace = 2.579774230066464 (0.00163185% change) linmin: converged after 3 iterations. iteration 127: trace = 2.57975531044539 (0.000733386% change) large trace change predicted (0.00185823%) linmin: converged after 5 iterations. iteration 128: trace = 2.579707346698611 (0.00185925% change) linmin: converged after 5 iterations. iteration 129: trace = 2.579647001040297 (0.00233927% change) linmin: converged after 11 iterations. iteration 130: trace = 2.579635653025282 (0.000439907% change) large trace change predicted (0.00166096%) linmin: converged after 5 iterations. iteration 131: trace = 2.579592867334587 (0.00165861% change) linmin: converged after 13 iterations. iteration 132: trace = 2.579574074820823 (0.00072851% change) linmin: converged after 3 iterations. iteration 133: trace = 2.579568111546416 (0.000231173% change) large trace change predicted (0.00171983%) linmin: converged after 3 iterations. iteration 134: trace = 2.579523720950809 (0.00172087% change) linmin: converged after 3 iterations. iteration 135: trace = 2.5795128619866 (0.000420969% change) linmin: converged after 3 iterations. iteration 136: trace = 2.579493272442582 (0.000759431% change) linmin: converged after 3 iterations. iteration 137: trace = 2.579467355398453 (0.00100474% change) linmin: converged after 3 iterations. iteration 138: trace = 2.579459640180141 (0.000299102% change) large trace change predicted (0.00116011%) linmin: converged after 3 iterations. iteration 139: trace = 2.579429733658133 (0.00115942% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.579415634850802 (0.000546588% change) linmin: converged after 7 iterations. iteration 141: trace = 2.579409135799897 (0.000251959% change) linmin: converged after 3 iterations. iteration 142: trace = 2.579396485864652 (0.000490421% change) linmin: converged after 6 iterations. iteration 143: trace = 2.579388973349782 (0.000291251% change) linmin: converged after 3 iterations. iteration 144: trace = 2.579378597650722 (0.000402255% change) linmin: converged after 4 iterations. iteration 145: trace = 2.579359287448387 (0.000748641% change) linmin: converged after 3 iterations. iteration 146: trace = 2.579354519393227 (0.000184854% change) large trace change predicted (0.000505436%) linmin: converged after 4 iterations. iteration 147: trace = 2.579341492545656 (0.000505044% change) linmin: converged after 3 iterations. iteration 148: trace = 2.579327449659426 (0.000544438% change) linmin: converged after 4 iterations. iteration 149: trace = 2.579321515198427 (0.000230078% change) large trace change predicted (0.000607916%) linmin: converged after 3 iterations. iteration 150: trace = 2.579305836345744 (0.000607869% change) linmin: converged after 4 iterations. iteration 151: trace = 2.579295539770802 (0.0003992% change) linmin: converged after 4 iterations. iteration 152: trace = 2.579281607613448 (0.000540155% change) linmin: converged after 5 iterations. iteration 153: trace = 2.579262920319685 (0.000724518% change) linmin: converged after 4 iterations. iteration 154: trace = 2.579257478311928 (0.000210991% change) large trace change predicted (0.00048731%) linmin: converged after 3 iterations. iteration 155: trace = 2.579244908611765 (0.000487339% change) linmin: converged after 4 iterations. iteration 156: trace = 2.579230661282422 (0.000552385% change) linmin: converged after 3 iterations. iteration 157: trace = 2.579225985628971 (0.000181281% change) large trace change predicted (0.000603513%) linmin: converged after 4 iterations. iteration 158: trace = 2.579210426985444 (0.000603231% change) linmin: converged after 4 iterations. iteration 159: trace = 2.579202418564066 (0.000310499% change) linmin: converged after 5 iterations. iteration 160: trace = 2.579194325061765 (0.000313799% change) linmin: converged after 4 iterations. iteration 161: trace = 2.579183238635259 (0.000429842% change) linmin: converged after 3 iterations. iteration 162: trace = 2.57917653880241 (0.000259766% change) linmin: converged after 4 iterations. iteration 163: trace = 2.579166603259792 (0.000385222% change) linmin: converged after 4 iterations. iteration 164: trace = 2.579151105401753 (0.000600888% change) linmin: converged after 20 iterations. iteration 165: trace = 2.579147576647706 (0.000136819% change) large trace change predicted (0.000299223%) linmin: converged after 3 iterations. iteration 166: trace = 2.579139861514665 (0.000299135% change) linmin: converged after 3 iterations. iteration 167: trace = 2.579133322404238 (0.000253539% change) linmin: converged after 3 iterations. iteration 168: trace = 2.57913055332081 (0.000107365% change) large trace change predicted (0.000322846%) linmin: converged after 3 iterations. iteration 169: trace = 2.579122223112045 (0.000322986% change) linmin: converged after 3 iterations. iteration 170: trace = 2.579119105684863 (0.000120872% change) linmin: converged after 4 iterations. iteration 171: trace = 2.579114525400246 (0.000177591% change) linmin: converged after 3 iterations. iteration 172: trace = 2.579109257788339 (0.000204241% change) linmin: converged after 3 iterations. iteration 173: trace = 2.579107811821034 (5.60646e-05% change) large trace change predicted (0.000188627%) linmin: converged after 3 iterations. iteration 174: trace = 2.579102944538286 (0.00018872% change) linmin: converged after 3 iterations. iteration 175: trace = 2.579098716222796 (0.000163945% change) linmin: converged after 4 iterations. iteration 176: trace = 2.57909665765508 (7.98174e-05% change) large trace change predicted (0.000230594%) linmin: converged after 4 iterations. iteration 177: trace = 2.579090705047931 (0.000230802% change) linmin: converged after 3 iterations. iteration 178: trace = 2.579087001963374 (0.000143581% change) linmin: converged after 4 iterations. iteration 179: trace = 2.579085268424022 (6.72153e-05% change) large trace change predicted (0.000239164%) linmin: converged after 3 iterations. iteration 180: trace = 2.579079097051017 (0.000239286% change) linmin: converged after 3 iterations. iteration 181: trace = 2.579076380041777 (0.000105348% change) large trace change predicted (0.000216817%) linmin: converged after 3 iterations. iteration 182: trace = 2.579070786181707 (0.000216894% change) linmin: converged after 3 iterations. iteration 183: trace = 2.579062372602423 (0.000326226% change) linmin: converged after 4 iterations. iteration 184: trace = 2.579059732849244 (0.000102353% change) large trace change predicted (0.00023723%) linmin: converged after 3 iterations. iteration 185: trace = 2.579053613274225 (0.00023728% change) linmin: converged after 3 iterations. iteration 186: trace = 2.57904742351718 (0.000240001% change) linmin: converged after 4 iterations. iteration 187: trace = 2.579042547750374 (0.000189053% change) linmin: converged after 4 iterations. iteration 188: trace = 2.579034857491923 (0.000298183% change) linmin: converged after 4 iterations. iteration 189: trace = 2.579032640851659 (8.59485e-05% change) linmin: converged after 3 iterations. iteration 190: trace = 2.579028659244394 (0.000154384% change) linmin: converged after 12 iterations. iteration 191: trace = 2.579022880499767 (0.000224067% change) linmin: converged after 10 iterations. iteration 192: trace = 2.579021597581044 (4.97444e-05% change) large trace change predicted (0.00020197%) linmin: converged after 3 iterations. iteration 193: trace = 2.579016392059374 (0.000201841% change) linmin: converged after 21 iterations. iteration 194: trace = 2.579010802189774 (0.000216744% change) linmin: converged after 3 iterations. iteration 195: trace = 2.579009338414397 (5.67573e-05% change) large trace change predicted (0.000156191%) linmin: converged after 4 iterations. iteration 196: trace = 2.579005312809275 (0.000156091% change) linmin: converged after 3 iterations. iteration 197: trace = 2.579001975284247 (0.000129411% change) linmin: converged after 3 iterations. iteration 198: trace = 2.579000261567316 (6.64489e-05% change) large trace change predicted (0.000144356%) linmin: converged after 6 iterations. iteration 199: trace = 2.578996541233709 (0.000144255% change) linmin: converged after 3 iterations. iteration 200: trace = 2.578995279899174 (4.8908e-05% change) large trace change predicted (0.000134842%) linmin: converged after 4 iterations. iteration 201: trace = 2.578991804757091 (0.000134748% change) linmin: converged after 12 iterations. iteration 202: trace = 2.578989402457685 (9.31488e-05% change) linmin: converged after 3 iterations. iteration 203: trace = 2.578987895793909 (5.84207e-05% change) large trace change predicted (0.000140252%) linmin: converged after 4 iterations. iteration 204: trace = 2.578984280291981 (0.000140191% change) linmin: converged after 3 iterations. iteration 205: trace = 2.578981627135481 (0.000102876% change) linmin: converged after 4 iterations. iteration 206: trace = 2.578978850936674 (0.000107647% change) linmin: converged after 3 iterations. iteration 207: trace = 2.578974729693801 (0.000159801% change) linmin: converged after 4 iterations. iteration 208: trace = 2.578973166037455 (6.06309e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.578970605981295 (9.92665e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.578968621668519 (7.69421e-05% change) linmin: converged after 3 iterations. iteration 211: trace = 2.578967708098484 (3.54239e-05% change) large trace change predicted (8.44028e-05%) linmin: converged after 3 iterations. iteration 212: trace = 2.578965531089448 (8.4414e-05% change) linmin: converged after 4 iterations. iteration 213: trace = 2.57896400104 (5.9328e-05% change) linmin: converged after 3 iterations. iteration 214: trace = 2.578962700525421 (5.04278e-05% change) linmin: converged after 4 iterations. iteration 215: trace = 2.578960541079911 (8.37331e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.578959751724778 (3.06075e-05% change) large trace change predicted (6.40715e-05%) linmin: converged after 3 iterations. iteration 217: trace = 2.57895809901313 (6.40845e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 2.57895556128394 (9.84014e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.578955032232228 (2.05142e-05% change) large trace change predicted (7.29661e-05%) linmin: converged after 3 iterations. iteration 220: trace = 2.578953149777362 (7.2993e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.578952015620705 (4.39774e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 2.578951246869631 (2.98087e-05% change) large trace change predicted (6.53692e-05%) linmin: converged after 3 iterations. iteration 223: trace = 2.578949560342594 (6.53959e-05% change) linmin: converged after 4 iterations. iteration 224: trace = 2.578948487675328 (4.15932e-05% change) linmin: converged after 4 iterations. iteration 225: trace = 2.578947063567579 (5.52205e-05% change) linmin: converged after 3 iterations. iteration 226: trace = 2.578944676964274 (9.25418e-05% change) linmin: converged after 4 iterations. iteration 227: trace = 2.578944095476585 (2.25475e-05% change) large trace change predicted (0.000102051%) linmin: converged after 4 iterations. iteration 228: trace = 2.57894146261737 (0.000102091% change) linmin: converged after 5 iterations. iteration 229: trace = 2.578939490442902 (7.64723e-05% change) linmin: converged after 2 iterations. iteration 230: trace = 2.578938645739257 (3.27539e-05% change) large trace change predicted (9.3633e-05%) linmin: converged after 4 iterations. iteration 231: trace = 2.578936230598524 (9.36487e-05% change) linmin: converged after 4 iterations. iteration 232: trace = 2.578934589892841 (6.36195e-05% change) linmin: converged after 3 iterations. iteration 233: trace = 2.578933573102176 (3.94268e-05% change) linmin: converged after 4 iterations. iteration 234: trace = 2.578932005851768 (6.07713e-05% change) linmin: converged after 3 iterations. iteration 235: trace = 2.578931126314594 (3.41047e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.57892980389125 (5.1278e-05% change) linmin: converged after 3 iterations. iteration 237: trace = 2.578927736347671 (8.01706e-05% change) linmin: converged after 3 iterations. iteration 238: trace = 2.578927376246023 (1.39632e-05% change) large trace change predicted (7.81152e-05%) linmin: converged after 7 iterations. iteration 239: trace = 2.57892536279057 (7.80734e-05% change) linmin: converged after 3 iterations. iteration 240: trace = 2.578924231638835 (4.38614e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.578923831555806 (1.55136e-05% change) large trace change predicted (4.86356e-05%) linmin: converged after 4 iterations. iteration 242: trace = 2.578922577841355 (4.86139e-05% change) linmin: converged after 3 iterations. iteration 243: trace = 2.578921849468643 (2.82433e-05% change) linmin: converged after 3 iterations. iteration 244: trace = 2.578921465583739 (1.48855e-05% change) large trace change predicted (3.35824e-05%) linmin: converged after 3 iterations. iteration 245: trace = 2.578920599750071 (3.35735e-05% change) linmin: converged after 4 iterations. iteration 246: trace = 2.578920032102229 (2.20111e-05% change) linmin: converged after 6 iterations. iteration 247: trace = 2.57891953774653 (1.91691e-05% change) large trace change predicted (4.48986e-05%) linmin: converged after 3 iterations. iteration 248: trace = 2.578918380153265 (4.48868e-05% change) linmin: converged after 3 iterations. iteration 249: trace = 2.578917771953163 (2.35835e-05% change) linmin: converged after 3 iterations. iteration 250: trace = 2.578916850514746 (3.57297e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 2.578915972481154 (3.40466e-05% change) linmin: converged after 3 iterations. iteration 252: trace = 2.578915624460809 (1.34948e-05% change) large trace change predicted (3.36998e-05%) linmin: converged after 3 iterations. iteration 253: trace = 2.578914755309377 (3.37022e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.578913867241151 (3.44357e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.578913288778457 (2.24305e-05% change) large trace change predicted (5.43488e-05%) linmin: converged after 3 iterations. iteration 256: trace = 2.578911886859182 (5.43609e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.578911445674828 (1.71074e-05% change) linmin: converged after 4 iterations. iteration 258: trace = 2.578910619006794 (3.20549e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.578909238604052 (5.35266e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.578908708430137 (2.05581e-05% change) large trace change predicted (5.13517e-05%) linmin: converged after 3 iterations. iteration 261: trace = 2.578907383950788 (5.13581e-05% change) linmin: converged after 4 iterations. iteration 262: trace = 2.578906288697773 (4.24697e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.578905953527076 (1.29966e-05% change) large trace change predicted (3.62573e-05%) linmin: converged after 5 iterations. iteration 264: trace = 2.578905018413626 (3.62601e-05% change) linmin: converged after 4 iterations. iteration 265: trace = 2.578904338305364 (2.6372e-05% change) linmin: converged after 14 iterations. iteration 266: trace = 2.578903895744683 (1.71608e-05% change) large trace change predicted (4.49844e-05%) linmin: converged after 4 iterations. iteration 267: trace = 2.578902735881091 (4.49751e-05% change) linmin: converged after 3 iterations. iteration 268: trace = 2.57890244832416 (1.11504e-05% change) large trace change predicted (2.81727e-05%) linmin: converged after 3 iterations. iteration 269: trace = 2.578901721835916 (2.81704e-05% change) linmin: converged after 3 iterations. iteration 270: trace = 2.578900860909693 (3.33834e-05% change) linmin: converged after 4 iterations. iteration 271: trace = 2.578900668577548 (7.45791e-06% change) large trace change predicted (2.50891e-05%) linmin: converged after 4 iterations. iteration 272: trace = 2.578900021586394 (2.50879e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.578899247041528 (3.00339e-05% change) linmin: converged after 7 iterations. iteration 274: trace = 2.578899097263727 (5.80782e-06% change) large trace change predicted (2.45719e-05%) linmin: converged after 4 iterations. iteration 275: trace = 2.578898463535138 (2.45736e-05% change) linmin: converged after 4 iterations. iteration 276: trace = 2.578898155311318 (1.19518e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.578897867250834 (1.11699e-05% change) large trace change predicted (2.31388e-05%) linmin: converged after 7 iterations. iteration 278: trace = 2.578897270501312 (2.31397e-05% change) large trace change predicted (5.07807e-05%) linmin: converged after 4 iterations. iteration 279: trace = 2.57889596076664 (5.07866e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.57889522697754 (2.84536e-05% change) linmin: converged after 4 iterations. iteration 281: trace = 2.578894827456509 (1.54919e-05% change) linmin: converged after 5 iterations. iteration 282: trace = 2.578894703312478 (4.81385e-06% change) large trace change predicted (1.09817e-05%) linmin: converged after 29 iterations. iteration 283: trace = 2.578894420110576 (1.09815e-05% change) linmin: converged after 4 iterations. iteration 284: trace = 2.578894037082335 (1.48524e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.578893924751346 (4.35578e-06% change) large trace change predicted (1.75995e-05%) linmin: converged after 4 iterations. iteration 286: trace = 2.578893470978072 (1.75957e-05% change) linmin: converged after 3 iterations. iteration 287: trace = 2.578893221935269 (9.65696e-06% change) linmin: converged after 4 iterations. iteration 288: trace = 2.578893051467225 (6.61012e-06% change) large trace change predicted (1.43727e-05%) linmin: converged after 4 iterations. iteration 289: trace = 2.578892680861474 (1.43707e-05% change) linmin: converged after 3 iterations. iteration 290: trace = 2.578892501429919 (6.9577e-06% change) linmin: converged after 2 iterations. iteration 291: trace = 2.578892248043304 (9.8254e-06% change) linmin: converged after 8 iterations. iteration 292: trace = 2.578891798420823 (1.74347e-05% change) linmin: converged after 11 iterations. iteration 293: trace = 2.578891684807251 (4.40552e-06% change) large trace change predicted (1.50971e-05%) linmin: converged after 14 iterations. iteration 294: trace = 2.578891295465723 (1.50972e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.578890983863167 (1.20828e-05% change) linmin: converged after 4 iterations. iteration 296: trace = 2.578890866516707 (4.55027e-06% change) large trace change predicted (1.60329e-05%) linmin: converged after 3 iterations. iteration 297: trace = 2.578890453084682 (1.60314e-05% change) linmin: converged after 4 iterations. iteration 298: trace = 2.578890066866203 (1.49762e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.578889920010235 (5.69454e-06% change) large trace change predicted (1.35291e-05%) linmin: converged after 4 iterations. iteration 300: trace = 2.578889571128782 (1.35284e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.578889424638314 (5.68037e-06% change) linmin: converged after 3 iterations. iteration 302: trace = 2.578889226531018 (7.68188e-06% change) linmin: converged after 3 iterations. iteration 303: trace = 2.578888943653681 (1.0969e-05% change) linmin: converged after 3 iterations. iteration 304: trace = 2.578888868732428 (2.90518e-06% change) large trace change predicted (1.06886e-05%) linmin: converged after 4 iterations. iteration 305: trace = 2.578888593106301 (1.06878e-05% change) linmin: converged after 4 iterations. iteration 306: trace = 2.578888407302861 (7.20479e-06% change) linmin: converged after 5 iterations. iteration 307: trace = 2.578888264328361 (5.54404e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.5788881102662 (5.97398e-06% change) linmin: converged after 3 iterations. iteration 309: trace = 2.578887851593076 (1.00304e-05% change) linmin: converged after 3 iterations. iteration 310: trace = 2.578887792884826 (2.27649e-06% change) large trace change predicted (5.4253e-06%) linmin: converged after 7 iterations. iteration 311: trace = 2.57888765296445 (5.42561e-06% change) linmin: converged after 4 iterations. iteration 312: trace = 2.578887501624571 (5.86842e-06% change) linmin: converged after 3 iterations. iteration 313: trace = 2.578887460662181 (1.58837e-06% change) large trace change predicted (5.48522e-06%) linmin: converged after 3 iterations. iteration 314: trace = 2.578887319197904 (5.48548e-06% change) linmin: converged after 3 iterations. iteration 315: trace = 2.578887219522717 (3.86505e-06% change) linmin: converged after 5 iterations. iteration 316: trace = 2.578887140960687 (3.04635e-06% change) large trace change predicted (6.79052e-06%) linmin: converged after 4 iterations. iteration 317: trace = 2.578886965822169 (6.79124e-06% change) linmin: converged after 2 iterations. iteration 318: trace = 2.578886904165103 (2.39084e-06% change) large trace change predicted (4.99345e-06%) linmin: converged after 3 iterations. iteration 319: trace = 2.578886775382716 (4.99372e-06% change) linmin: converged after 4 iterations. iteration 320: trace = 2.578886572490584 (7.86743e-06% change) linmin: converged after 2 iterations. iteration 321: trace = 2.578886517434007 (2.1349e-06% change) large trace change predicted (6.63612e-06%) linmin: converged after 4 iterations. iteration 322: trace = 2.578886346289424 (6.63638e-06% change) linmin: converged after 2 iterations. iteration 323: trace = 2.578886212960974 (5.17e-06% change) linmin: converged after 2 iterations. iteration 324: trace = 2.578886149281931 (2.46925e-06% change) large trace change predicted (6.50473e-06%) linmin: converged after 2 iterations. iteration 325: trace = 2.578885981530394 (6.50481e-06% change) linmin: converged after 3 iterations. iteration 326: trace = 2.578885811298568 (6.60098e-06% change) linmin: converged after 4 iterations. iteration 327: trace = 2.578885761798587 (1.91943e-06% change) large trace change predicted (6.54485e-06%) linmin: converged after 7 iterations. iteration 328: trace = 2.57888559303042 (6.54423e-06% change) linmin: converged after 3 iterations. iteration 329: trace = 2.578885467628337 (4.86265e-06% change) linmin: converged after 3 iterations. iteration 330: trace = 2.578885429544643 (1.47675e-06% change) large trace change predicted (7.1981e-06%) linmin: converged after 3 iterations. iteration 331: trace = 2.578885243949248 (7.19673e-06% change) linmin: converged after 4 iterations. iteration 332: trace = 2.578885149065255 (3.67926e-06% change) linmin: converged after 4 iterations. iteration 333: trace = 2.578885063428824 (3.32068e-06% change) linmin: converged after 18 iterations. iteration 334: trace = 2.578884946008045 (4.55316e-06% change) linmin: converged after 2 iterations. iteration 335: trace = 2.578884918159277 (1.07988e-06% change) large trace change predicted (3.19236e-06%) linmin: converged after 13 iterations. iteration 336: trace = 2.578884835839678 (3.19206e-06% change) linmin: converged after 3 iterations. iteration 337: trace = 2.578884746146387 (3.47799e-06% change) linmin: converged after 3 iterations. iteration 338: trace = 2.578884704852267 (1.60124e-06% change) linmin: converged after 3 iterations. iteration 339: trace = 2.578884643276735 (2.38768e-06% change) linmin: converged after 20 iterations. iteration 340: trace = 2.578884540127254 (3.99977e-06% change) linmin: converged after 20 iterations. iteration 341: trace = 2.5788845141778 (1.00623e-06% change) large trace change predicted (3.19274e-06%) linmin: converged after 3 iterations. iteration 342: trace = 2.578884431847739 (3.19247e-06% change) linmin: converged after 8 iterations. iteration 343: trace = 2.57888435015944 (3.16758e-06% change) linmin: converged after 4 iterations. iteration 344: trace = 2.578884323189993 (1.04578e-06% change) large trace change predicted (3.25445e-06%) linmin: converged after 11 iterations. iteration 345: trace = 2.578884239263491 (3.25437e-06% change) linmin: converged after 3 iterations. iteration 346: trace = 2.578884179115983 (2.33231e-06% change) linmin: converged after 2 iterations. iteration 347: trace = 2.578884131928242 (1.82977e-06% change) linmin: converged after 2 iterations. iteration 348: trace = 2.578884074584019 (2.22361e-06% change) linmin: converged after 4 iterations. iteration 349: trace = 2.578883994836572 (3.09232e-06% change) resetting CG direction... linmin: converged after 17 iterations. iteration 350: trace = 2.57888393579377 (2.28947e-06% change) linmin: converged after 3 iterations. iteration 351: trace = 2.578883894860159 (1.58726e-06% change) linmin: converged after 23 iterations. iteration 352: trace = 2.578883871546704 (9.04013e-07% change) large trace change predicted (1.87569e-06%) linmin: converged after 2 iterations. iteration 353: trace = 2.578883823172787 (1.87577e-06% change) linmin: converged after 10 iterations. iteration 354: trace = 2.578883771961251 (1.9858e-06% change) linmin: converged after 4 iterations. iteration 355: trace = 2.578883754100791 (6.92566e-07% change) large trace change predicted (2.11044e-06%) linmin: converged after 3 iterations. iteration 356: trace = 2.578883699671651 (2.11057e-06% change) linmin: converged after 4 iterations. iteration 357: trace = 2.578883664448649 (1.36582e-06% change) linmin: converged after 12 iterations. iteration 358: trace = 2.578883630901182 (1.30085e-06% change) linmin: converged after 4 iterations. iteration 359: trace = 2.57888357470487 (2.17909e-06% change) linmin: converged after 24 iterations. iteration 360: trace = 2.578883560257955 (5.602e-07% change) large trace change predicted (1.38429e-06%) linmin: converged after 11 iterations. iteration 361: trace = 2.578883524557642 (1.38433e-06% change) linmin: converged after 4 iterations. iteration 362: trace = 2.578883480454182 (1.71018e-06% change) linmin: converged after 6 iterations. iteration 363: trace = 2.578883467178114 (5.14799e-07% change) large trace change predicted (1.49121e-06%) linmin: converged after 12 iterations. iteration 364: trace = 2.5788834287193 (1.4913e-06% change) linmin: converged after 11 iterations. iteration 365: trace = 2.578883375849375 (2.05011e-06% change) linmin: converged after 3 iterations. iteration 366: trace = 2.578883362389098 (5.21942e-07% change) large trace change predicted (2.68495e-06%) linmin: converged after 9 iterations. iteration 367: trace = 2.578883293142607 (2.68513e-06% change) linmin: converged after 2 iterations. iteration 368: trace = 2.578883239218442 (2.09099e-06% change) linmin: converged after 5 iterations. iteration 369: trace = 2.578883205831533 (1.29463e-06% change) linmin: converged after 5 iterations. iteration 370: trace = 2.578883152626305 (2.06311e-06% change) linmin: converged after 26 iterations. iteration 371: trace = 2.578883122637118 (1.16287e-06% change) linmin: converged after 5 iterations. iteration 372: trace = 2.578883081135949 (1.60927e-06% change) linmin: converged after 14 iterations. iteration 373: trace = 2.578883025384119 (2.16186e-06% change) linmin: converged after 3 iterations. iteration 374: trace = 2.578883012754961 (4.89714e-07% change) large trace change predicted (1.58535e-06%) linmin: converged after 5 iterations. iteration 375: trace = 2.578882971871322 (1.58532e-06% change) linmin: converged after 3 iterations. iteration 376: trace = 2.578882925665299 (1.79171e-06% change) linmin: converged after 4 iterations. iteration 377: trace = 2.5788828809691 (1.73316e-06% change) linmin: converged after 21 iterations. iteration 378: trace = 2.57888286355631 (6.75207e-07% change) large trace change predicted (1.88762e-06%) linmin: converged after 8 iterations. iteration 379: trace = 2.578882814880487 (1.88748e-06% change) linmin: converged after 5 iterations. iteration 380: trace = 2.578882793348044 (8.34952e-07% change) linmin: converged after 7 iterations. iteration 381: trace = 2.578882774514839 (7.30285e-07% change) linmin: converged after 12 iterations. iteration 382: trace = 2.578882737798954 (1.42371e-06% change) linmin: converged after 4 iterations. iteration 383: trace = 2.578882728270512 (3.69479e-07% change) large trace change predicted (9.16862e-07%) linmin: converged after 18 iterations. iteration 384: trace = 2.578882704626786 (9.1682e-07% change) linmin: converged after 4 iterations. iteration 385: trace = 2.578882677929743 (1.03522e-06% change) linmin: converged after 16 iterations. iteration 386: trace = 2.578882669921749 (3.10522e-07% change) large trace change predicted (1.0779e-06%) linmin: converged after 3 iterations. iteration 387: trace = 2.578882642124388 (1.07788e-06% change) linmin: converged after 3 iterations. iteration 388: trace = 2.578882617635791 (9.49582e-07% change) linmin: converged after 3 iterations. iteration 389: trace = 2.57888260822338 (3.6498e-07% change) large trace change predicted (1.4874e-06%) linmin: converged after 3 iterations. iteration 390: trace = 2.578882569865431 (1.48739e-06% change) linmin: converged after 7 iterations. iteration 391: trace = 2.578882559062156 (4.18913e-07% change) large trace change predicted (1.23871e-06%) linmin: converged after 5 iterations. iteration 392: trace = 2.578882527117174 (1.23871e-06% change) linmin: converged after 2 iterations. iteration 393: trace = 2.578882504327886 (8.83689e-07% change) linmin: converged after 4 iterations. iteration 394: trace = 2.578882493794027 (4.08466e-07% change) large trace change predicted (1.05878e-06%) linmin: converged after 3 iterations. iteration 395: trace = 2.578882466488935 (1.0588e-06% change) linmin: converged after 16 iterations. iteration 396: trace = 2.578882436658223 (1.15673e-06% change) linmin: converged after 2 iterations. iteration 397: trace = 2.578882429406505 (2.81196e-07% change) large trace change predicted (9.56888e-07%) linmin: converged after 4 iterations. iteration 398: trace = 2.578882404729107 (9.56903e-07% change) linmin: converged after 5 iterations. iteration 399: trace = 2.578882380938668 (9.2251e-07% change) linmin: converged after 4 iterations. iteration 400: trace = 2.57888236818018 (4.94729e-07% change) large trace change predicted (1.47017e-06%) linmin: converged after 3 iterations. iteration 401: trace = 2.578882330265206 (1.47021e-06% change) linmin: converged after 11 iterations. iteration 402: trace = 2.578882301857762 (1.10154e-06% change) linmin: converged after 22 iterations. iteration 403: trace = 2.578882293481849 (3.24789e-07% change) large trace change predicted (9.13134e-07%) linmin: converged after 10 iterations. iteration 404: trace = 2.578882269932365 (9.13166e-07% change) linmin: converged after 3 iterations. iteration 405: trace = 2.578882249594846 (7.88618e-07% change) linmin: converged after 5 iterations. iteration 406: trace = 2.578882243347295 (2.42258e-07% change) large trace change predicted (9.58398e-07%) linmin: converged after 4 iterations. iteration 407: trace = 2.578882218631308 (9.58399e-07% change) linmin: converged after 3 iterations. iteration 408: trace = 2.57888220599233 (4.90095e-07% change) linmin: converged after 7 iterations. iteration 409: trace = 2.578882193615669 (4.79923e-07% change) linmin: converged after 3 iterations. iteration 410: trace = 2.578882171441707 (8.59828e-07% change) linmin: converged after 6 iterations. iteration 411: trace = 2.578882165887192 (2.15385e-07% change) large trace change predicted (5.27401e-07%) linmin: converged after 3 iterations. iteration 412: trace = 2.578882152286048 (5.27405e-07% change) linmin: converged after 3 iterations. iteration 413: trace = 2.578882130998338 (8.25463e-07% change) linmin: converged after 2 iterations. iteration 414: trace = 2.578882126443451 (1.76623e-07% change) large trace change predicted (7.43168e-07%) linmin: converged after 16 iterations. iteration 415: trace = 2.578882107278163 (7.43163e-07% change) linmin: converged after 4 iterations. iteration 416: trace = 2.57888209821603 (3.51398e-07% change) linmin: converged after 11 iterations. iteration 417: trace = 2.578882091682609 (2.53343e-07% change) large trace change predicted (5.17204e-07%) linmin: converged after 3 iterations. iteration 418: trace = 2.578882078344527 (5.17204e-07% change) linmin: converged after 2 iterations. iteration 419: trace = 2.5788820661753 (4.7188e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.578882055778009 (4.0317e-07% change) linmin: converged after 13 iterations. iteration 421: trace = 2.57888204537883 (4.03244e-07% change) linmin: converged after 4 iterations. iteration 422: trace = 2.578882040632895 (1.84031e-07% change) linmin: converged after 4 iterations. iteration 423: trace = 2.578882033680895 (2.69574e-07% change) linmin: converged after 3 iterations. iteration 424: trace = 2.578882020896121 (4.95749e-07% change) linmin: converged after 25 iterations. iteration 425: trace = 2.578882018329427 (9.95274e-08% change) large trace change predicted (5.27682e-07%) linmin: converged after 4 iterations. iteration 426: trace = 2.578882004721463 (5.27669e-07% change) linmin: converged after 5 iterations. iteration 427: trace = 2.578881997346698 (2.85968e-07% change) linmin: converged after 6 iterations. iteration 428: trace = 2.578881993739488 (1.39875e-07% change) large trace change predicted (4.16045e-07%) linmin: converged after 5 iterations. iteration 429: trace = 2.578881983010386 (4.16037e-07% change) linmin: converged after 2 iterations. iteration 430: trace = 2.578881980258168 (1.06721e-07% change) large trace change predicted (3.75217e-07%) linmin: converged after 3 iterations. iteration 431: trace = 2.578881970581898 (3.75212e-07% change) linmin: converged after 7 iterations. iteration 432: trace = 2.578881959796901 (4.18204e-07% change) linmin: converged after 28 iterations. iteration 433: trace = 2.578881956172565 (1.40539e-07% change) large trace change predicted (3.71923e-07%) linmin: converged after 4 iterations. iteration 434: trace = 2.578881946581201 (3.71919e-07% change) linmin: converged after 3 iterations. iteration 435: trace = 2.578881936344067 (3.9696e-07% change) linmin: converged after 7 iterations. iteration 436: trace = 2.57888193331834 (1.17327e-07% change) large trace change predicted (4.26705e-07%) linmin: converged after 4 iterations. iteration 437: trace = 2.578881922314483 (4.26691e-07% change) linmin: converged after 5 iterations. iteration 438: trace = 2.578881910207273 (4.69475e-07% change) linmin: converged after 4 iterations. iteration 439: trace = 2.578881906915255 (1.27653e-07% change) large trace change predicted (3.71081e-07%) linmin: converged after 7 iterations. iteration 440: trace = 2.578881897345664 (3.71075e-07% change) linmin: converged after 3 iterations. iteration 441: trace = 2.57888189165436 (2.20689e-07% change) linmin: converged after 4 iterations. iteration 442: trace = 2.578881887038837 (1.78974e-07% change) linmin: converged after 3 iterations. iteration 443: trace = 2.578881877885806 (3.54922e-07% change) linmin: converged after 19 iterations. iteration 444: trace = 2.578881872195414 (2.20653e-07% change) linmin: converged after 13 iterations. iteration 445: trace = 2.578881869437232 (1.06953e-07% change) large trace change predicted (2.27404e-07%) linmin: converged after 3 iterations. iteration 446: trace = 2.57888186357279 (2.27403e-07% change) linmin: converged after 5 iterations. iteration 447: trace = 2.578881855699412 (3.05302e-07% change) linmin: converged after 3 iterations. iteration 448: trace = 2.578881854138523 (6.05258e-08% change) large trace change predicted (2.87616e-07%) linmin: converged after 10 iterations. iteration 449: trace = 2.578881846721199 (2.87618e-07% change) linmin: converged after 41 iterations. iteration 450: trace = 2.578881842011823 (1.82613e-07% change) linmin: converged after 4 iterations. iteration 451: trace = 2.578881840439604 (6.09652e-08% change) large trace change predicted (1.75237e-07%) linmin: converged after 3 iterations. iteration 452: trace = 2.578881835920438 (1.75237e-07% change) linmin: converged after 4 iterations. iteration 453: trace = 2.578881832065417 (1.49484e-07% change) linmin: converged after 5 iterations. iteration 454: trace = 2.578881830281713 (6.91658e-08% change) large trace change predicted (1.6824e-07%) linmin: converged after 6 iterations. iteration 455: trace = 2.578881825942946 (1.68242e-07% change) linmin: converged after 5 iterations. iteration 456: trace = 2.578881822705258 (1.25546e-07% change) linmin: converged after 11 iterations. iteration 457: trace = 2.578881819662493 (1.17988e-07% change) linmin: converged after 2 iterations. iteration 458: trace = 2.578881814582791 (1.96973e-07% change) linmin: converged after 3 iterations. iteration 459: trace = 2.578881812769948 (7.02957e-08% change) large trace change predicted (2.19127e-07%) linmin: converged after 16 iterations. iteration 460: trace = 2.578881807118828 (2.19131e-07% change) linmin: converged after 4 iterations. iteration 461: trace = 2.57888180323904 (1.50445e-07% change) linmin: converged after 10 iterations. iteration 462: trace = 2.578881799932327 (1.28223e-07% change) linmin: converged after 3 iterations. iteration 463: trace = 2.578881795836194 (1.58834e-07% change) linmin: converged after 2 iterations. iteration 464: trace = 2.578881792680758 (1.22357e-07% change) linmin: converged after 11 iterations. iteration 465: trace = 2.578881789769349 (1.12894e-07% change) linmin: converged after 4 iterations. iteration 466: trace = 2.578881784504399 (2.04156e-07% change) linmin: converged after 13 iterations. iteration 467: trace = 2.578881780312667 (1.62541e-07% change) linmin: converged after 31 iterations. iteration 468: trace = 2.578881778680062 (6.33067e-08% change) large trace change predicted (1.40672e-07%) linmin: converged after 15 iterations. iteration 469: trace = 2.578881775052338 (1.4067e-07% change) linmin: converged after 5 iterations. iteration 470: trace = 2.578881769803038 (2.03549e-07% change) linmin: converged after 4 iterations. iteration 471: trace = 2.578881768484452 (5.11301e-08% change) large trace change predicted (1.64795e-07%) linmin: converged after 4 iterations. iteration 472: trace = 2.578881764234717 (1.6479e-07% change) linmin: converged after 23 iterations. iteration 473: trace = 2.57888176326035 (3.77825e-08% change) large trace change predicted (9.65012e-08%) linmin: converged after 9 iterations. iteration 474: trace = 2.57888176077173 (9.64999e-08% change) linmin: converged after 4 iterations. iteration 475: trace = 2.578881758613015 (8.37074e-08% change) linmin: converged after 4 iterations. iteration 476: trace = 2.57888175794707 (2.5823e-08% change) large trace change predicted (1.01449e-07%) linmin: converged after 5 iterations. iteration 477: trace = 2.578881755330865 (1.01447e-07% change) linmin: converged after 3 iterations. iteration 478: trace = 2.578881753006577 (9.01278e-08% change) linmin: converged after 3 iterations. iteration 479: trace = 2.57888175113139 (7.27132e-08% change) linmin: converged after 5 iterations. iteration 480: trace = 2.578881749995915 (4.40297e-08% change) large trace change predicted (9.72902e-08%) linmin: converged after 4 iterations. iteration 481: trace = 2.578881747486927 (9.72898e-08% change) linmin: converged after 4 iterations. iteration 482: trace = 2.578881745945532 (5.97699e-08% change) linmin: converged after 4 iterations. iteration 483: trace = 2.578881744146053 (6.97775e-08% change) linmin: converged after 3 iterations. iteration 484: trace = 2.578881741403755 (1.06337e-07% change) linmin: converged after 4 iterations. iteration 485: trace = 2.578881740878809 (2.03556e-08% change) large trace change predicted (7.74834e-08%) linmin: converged after 3 iterations. iteration 486: trace = 2.57888173888059 (7.74839e-08% change) linmin: converged after 4 iterations. iteration 487: trace = 2.578881737163671 (6.65761e-08% change) linmin: converged after 2 iterations. iteration 488: trace = 2.578881736691734 (1.83001e-08% change) large trace change predicted (4.93228e-07%) linmin: converged after 4 iterations. iteration 489: trace = 2.5788817239713 (4.93254e-07% change) resetting CG direction... linmin: converged after 8 iterations. iteration 490: trace = 2.578881721519866 (9.5058e-08% change) linmin: converged after 4 iterations. iteration 491: trace = 2.578881718217211 (1.28065e-07% change) linmin: converged after 4 iterations. iteration 492: trace = 2.578881716636402 (6.12982e-08% change) linmin: converged after 2 iterations. iteration 493: trace = 2.578881715786968 (3.29381e-08% change) linmin: converged after 4 iterations. iteration 494: trace = 2.578881714309771 (5.72805e-08% change) linmin: converged after 4 iterations. iteration 495: trace = 2.5788817138694 (1.70761e-08% change) large trace change predicted (3.77506e-08%) linmin: converged after 3 iterations. iteration 496: trace = 2.578881712895858 (3.77505e-08% change) linmin: converged after 15 iterations. iteration 497: trace = 2.578881712080671 (3.16101e-08% change) linmin: converged after 3 iterations. iteration 498: trace = 2.578881711855897 (8.71595e-09% change) large trace change predicted (4.73117e-08%) linmin: converged after 5 iterations. iteration 499: trace = 2.578881710635785 (4.73117e-08% change) linmin: converged after 4 iterations. iteration 500: trace = 2.578881709351616 (4.97956e-08% change) linmin: converged after 12 iterations. iteration 501: trace = 2.578881708769009 (2.25915e-08% change) large trace change predicted (6.95201e-08%) linmin: converged after 4 iterations. iteration 502: trace = 2.578881706976149 (6.95208e-08% change) linmin: converged after 4 iterations. iteration 503: trace = 2.578881705858258 (4.33479e-08% change) linmin: converged after 4 iterations. iteration 504: trace = 2.578881705492501 (1.41828e-08% change) large trace change predicted (2.85919e-08%) linmin: converged after 4 iterations. iteration 505: trace = 2.578881704755149 (2.85919e-08% change) linmin: converged after 4 iterations. iteration 506: trace = 2.57888170367108 (4.20364e-08% change) linmin: converged after 3 iterations. iteration 507: trace = 2.578881703132349 (2.08901e-08% change) large trace change predicted (6.1798e-08%) linmin: converged after 4 iterations. iteration 508: trace = 2.578881701538643 (6.17984e-08% change) linmin: converged after 25 iterations. iteration 509: trace = 2.578881700827449 (2.75776e-08% change) linmin: converged after 10 iterations. iteration 510: trace = 2.578881699898389 (3.60257e-08% change) linmin: converged after 4 iterations. iteration 511: trace = 2.578881698633524 (4.9047e-08% change) linmin: converged after 8 iterations. iteration 512: trace = 2.578881698260424 (1.44675e-08% change) large trace change predicted (5.11004e-08%) linmin: converged after 16 iterations. iteration 513: trace = 2.578881696942608 (5.11003e-08% change) linmin: converged after 14 iterations. iteration 514: trace = 2.578881695963761 (3.79563e-08% change) linmin: converged after 7 iterations. iteration 515: trace = 2.578881695645565 (1.23385e-08% change) large trace change predicted (3.27952e-08%) linmin: converged after 10 iterations. iteration 516: trace = 2.578881694799823 (3.27949e-08% change) linmin: converged after 8 iterations. iteration 517: trace = 2.578881693898072 (3.49667e-08% change) linmin: converged after 4 iterations. iteration 518: trace = 2.578881693694323 (7.90067e-09% change) large trace change predicted (4.16097e-08%) linmin: converged after 4 iterations. iteration 519: trace = 2.578881692621272 (4.16091e-08% change) linmin: converged after 4 iterations. iteration 520: trace = 2.578881691714941 (3.51444e-08% change) linmin: converged after 3 iterations. iteration 521: trace = 2.578881690764339 (3.6861e-08% change) linmin: converged after 4 iterations. iteration 522: trace = 2.578881690259404 (1.95796e-08% change) linmin: converged after 6 iterations. iteration 523: trace = 2.578881689324771 (3.62418e-08% change) linmin: converged after 15 iterations. iteration 524: trace = 2.57888168909875 (8.76432e-09% change) large trace change predicted (2.88036e-08%) linmin: converged after 4 iterations. iteration 525: trace = 2.578881688355944 (2.88034e-08% change) linmin: converged after 7 iterations. iteration 526: trace = 2.578881687678493 (2.62692e-08% change) linmin: converged after 4 iterations. iteration 527: trace = 2.578881687297771 (1.47631e-08% change) linmin: converged after 3 iterations. iteration 528: trace = 2.578881686806487 (1.90503e-08% change) linmin: converged after 12 iterations. iteration 529: trace = 2.578881685906822 (3.48858e-08% change) linmin: converged after 17 iterations. iteration 530: trace = 2.578881685700844 (7.98712e-09% change) large trace change predicted (2.74161e-08%) linmin: converged after 30 iterations. iteration 531: trace = 2.578881684993807 (2.74164e-08% change) linmin: converged after 5 iterations. iteration 532: trace = 2.578881684571981 (1.63569e-08% change) linmin: converged after 3 iterations. iteration 533: trace = 2.578881684290793 (1.09035e-08% change) large trace change predicted (3.16842e-08%) linmin: converged after 4 iterations. iteration 534: trace = 2.578881683473693 (3.16843e-08% change) linmin: converged after 4 iterations. iteration 535: trace = 2.57888168319469 (1.08188e-08% change) linmin: converged after 16 iterations. iteration 536: trace = 2.578881682763536 (1.67186e-08% change) linmin: converged after 31 iterations. iteration 537: trace = 2.578881682299742 (1.79843e-08% change) linmin: converged after 4 iterations. iteration 538: trace = 2.578881682059629 (9.31075e-09% change) large trace change predicted (2.05675e-08%) linmin: converged after 4 iterations. iteration 539: trace = 2.578881681529215 (2.05676e-08% change) linmin: converged after 5 iterations. iteration 540: trace = 2.578881680848423 (2.63987e-08% change) linmin: converged after 6 iterations. iteration 541: trace = 2.57888168064148 (8.02449e-09% change) large trace change predicted (2.51566e-08%) linmin: converged after 4 iterations. iteration 542: trace = 2.578881679992719 (2.51567e-08% change) linmin: converged after 22 iterations. iteration 543: trace = 2.578881679319107 (2.61203e-08% change) linmin: converged after 10 iterations. iteration 544: trace = 2.578881678941131 (1.46566e-08% change) linmin: converged after 4 iterations. iteration 545: trace = 2.578881678623003 (1.23359e-08% change) large trace change predicted (2.56906e-08%) linmin: converged after 4 iterations. iteration 546: trace = 2.578881677960473 (2.56906e-08% change) linmin: converged after 4 iterations. iteration 547: trace = 2.578881677793713 (6.46638e-09% change) large trace change predicted (2.05978e-08%) linmin: converged after 4 iterations. iteration 548: trace = 2.578881677262519 (2.05978e-08% change) linmin: converged after 3 iterations. iteration 549: trace = 2.578881676808409 (1.76088e-08% change) linmin: converged after 12 iterations. iteration 550: trace = 2.578881676497836 (1.20429e-08% change) linmin: converged after 6 iterations. iteration 551: trace = 2.57888167633043 (6.49144e-09% change) large trace change predicted (2.23402e-08%) linmin: converged after 4 iterations. iteration 552: trace = 2.578881675754306 (2.23401e-08% change) linmin: converged after 8 iterations. iteration 553: trace = 2.578881675674292 (3.10265e-09% change) large trace change predicted (1.35827e-08%) linmin: converged after 15 iterations. iteration 554: trace = 2.578881675324011 (1.35827e-08% change) linmin: converged after 4 iterations. iteration 555: trace = 2.578881675074642 (9.66966e-09% change) linmin: converged after 3 iterations. iteration 556: trace = 2.57888167498773 (3.37015e-09% change) large trace change predicted (1.18154e-08%) linmin: converged after 4 iterations. iteration 557: trace = 2.578881674683028 (1.18153e-08% change) linmin: converged after 4 iterations. iteration 558: trace = 2.578881674490124 (7.48014e-09% change) linmin: converged after 2 iterations. iteration 559: trace = 2.578881674372142 (4.57493e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.578881674291714 (3.11874e-09% change) linmin: converged after 3 iterations. iteration 561: trace = 2.578881674209279 (3.1965e-09% change) large trace change predicted (8.45831e-09%) linmin: converged after 3 iterations. iteration 562: trace = 2.578881673991148 (8.45838e-09% change) linmin: converged after 14 iterations. iteration 563: trace = 2.578881673929432 (2.39313e-09% change) large trace change predicted (8.91522e-09%) linmin: converged after 2 iterations. iteration 564: trace = 2.578881673699516 (8.91532e-09% change) linmin: converged after 21 iterations. iteration 565: trace = 2.578881673501566 (7.67583e-09% change) linmin: converged after 3 iterations. iteration 566: trace = 2.578881673410533 (3.52992e-09% change) large trace change predicted (9.84813e-09%) linmin: converged after 4 iterations. iteration 567: trace = 2.578881673156562 (9.84809e-09% change) linmin: converged after 4 iterations. iteration 568: trace = 2.578881673030966 (4.87017e-09% change) linmin: converged after 4 iterations. iteration 569: trace = 2.578881672867399 (6.34259e-09% change) linmin: converged after 16 iterations. iteration 570: trace = 2.578881672638073 (8.89244e-09% change) linmin: converged after 27 iterations. iteration 571: trace = 2.578881672569524 (2.6581e-09% change) large trace change predicted (1.21645e-08%) linmin: converged after 4 iterations. iteration 572: trace = 2.578881672255813 (1.21646e-08% change) linmin: converged after 27 iterations. iteration 573: trace = 2.578881671970398 (1.10674e-08% change) linmin: converged after 4 iterations. iteration 574: trace = 2.578881671857391 (4.38201e-09% change) large trace change predicted (9.88469e-09%) linmin: converged after 2 iterations. iteration 575: trace = 2.578881671602477 (9.88468e-09% change) linmin: converged after 4 iterations. iteration 576: trace = 2.578881671255521 (1.34537e-08% change) linmin: converged after 4 iterations. iteration 577: trace = 2.578881671183619 (2.78811e-09% change) large trace change predicted (1.01409e-08%) linmin: converged after 5 iterations. iteration 578: trace = 2.578881670922096 (1.0141e-08% change) linmin: converged after 15 iterations. iteration 579: trace = 2.578881670711564 (8.1637e-09% change) linmin: converged after 23 iterations. iteration 580: trace = 2.578881670601458 (4.26951e-09% change) large trace change predicted (8.77237e-09%) linmin: converged after 4 iterations. iteration 581: trace = 2.578881670375228 (8.77241e-09% change) linmin: converged after 9 iterations. iteration 582: trace = 2.578881670191094 (7.14009e-09% change) linmin: converged after 6 iterations. iteration 583: trace = 2.578881670144961 (1.78887e-09% change) large trace change predicted (4.57698e-09%) linmin: converged after 11 iterations. iteration 584: trace = 2.578881670026929 (4.57684e-09% change) linmin: converged after 3 iterations. iteration 585: trace = 2.57888166987482 (5.89829e-09% change) linmin: converged after 21 iterations. iteration 586: trace = 2.578881669834612 (1.5591e-09% change) large trace change predicted (6.47718e-09%) linmin: converged after 16 iterations. iteration 587: trace = 2.578881669667573 (6.4772e-09% change) linmin: converged after 4 iterations. iteration 588: trace = 2.578881669607972 (2.31113e-09% change) linmin: converged after 18 iterations. iteration 589: trace = 2.578881669499441 (4.20845e-09% change) linmin: converged after 9 iterations. iteration 590: trace = 2.578881669354619 (5.61567e-09% change) linmin: converged after 4 iterations. iteration 591: trace = 2.57888166923212 (4.75008e-09% change) linmin: converged after 5 iterations. iteration 592: trace = 2.578881669127317 (4.0639e-09% change) linmin: converged after 6 iterations. iteration 593: trace = 2.57888166906257 (2.51067e-09% change) large trace change predicted (5.5984e-09%) linmin: converged after 24 iterations. iteration 594: trace = 2.578881668918191 (5.59848e-09% change) linmin: converged after 3 iterations. iteration 595: trace = 2.578881668882193 (1.39591e-09% change) large trace change predicted (3.86043e-09%) linmin: converged after 4 iterations. iteration 596: trace = 2.578881668782633 (3.86057e-09% change) linmin: converged after 25 iterations. iteration 597: trace = 2.578881668626234 (6.06462e-09% change) linmin: converged after 2 iterations. iteration 598: trace = 2.578881668592183 (1.32036e-09% change) large trace change predicted (6.74039e-09%) linmin: converged after 6 iterations. iteration 599: trace = 2.578881668418357 (6.74039e-09% change) linmin: converged after 4 iterations. iteration 600: trace = 2.578881668322648 (3.71125e-09% change) linmin: converged after 24 iterations. iteration 601: trace = 2.57888166824542 (2.99463e-09% change) linmin: converged after 12 iterations. iteration 602: trace = 2.578881668152529 (3.60197e-09% change) linmin: converged after 5 iterations. iteration 603: trace = 2.578881668054334 (3.80765e-09% change) linmin: converged after 2 iterations. iteration 604: trace = 2.578881668005145 (1.90742e-09% change) linmin: converged after 3 iterations. iteration 605: trace = 2.578881667914807 (3.50296e-09% change) linmin: converged after 16 iterations. iteration 606: trace = 2.578881667869844 (1.74351e-09% change) linmin: converged after 4 iterations. iteration 607: trace = 2.578881667783778 (3.33733e-09% change) linmin: converged after 18 iterations. iteration 608: trace = 2.578881667678247 (4.09215e-09% change) linmin: converged after 6 iterations. iteration 609: trace = 2.578881667652799 (9.86788e-10% change) large trace change predicted (3.88002e-09%) linmin: converged after 30 iterations. iteration 610: trace = 2.57888166755274 (3.87992e-09% change) linmin: converged after 4 iterations. iteration 611: trace = 2.578881667454505 (3.80922e-09% change) linmin: converged after 2 iterations. iteration 612: trace = 2.5788816674242 (1.17511e-09% change) linmin: converged after 4 iterations. iteration 613: trace = 2.578881667365766 (2.26587e-09% change) linmin: converged after 4 iterations. iteration 614: trace = 2.5788816673079 (2.24383e-09% change) linmin: converged after 3 iterations. iteration 615: trace = 2.578881667249484 (2.26518e-09% change) linmin: converged after 7 iterations. iteration 616: trace = 2.578881667223485 (1.00814e-09% change) large trace change predicted (2.61728e-09%) linmin: converged after 3 iterations. iteration 617: trace = 2.578881667155989 (2.61727e-09% change) linmin: converged after 3 iterations. iteration 618: trace = 2.578881667096291 (2.3149e-09% change) linmin: converged after 13 iterations. iteration 619: trace = 2.578881667074646 (8.39297e-10% change) large trace change predicted (2.41835e-09%) linmin: converged after 4 iterations. iteration 620: trace = 2.578881667012275 (2.41855e-09% change) linmin: converged after 10 iterations. iteration 621: trace = 2.578881666942384 (2.71014e-09% change) linmin: converged after 4 iterations. iteration 622: trace = 2.57888166692571 (6.46533e-10% change) large trace change predicted (1.55377e-09%) linmin: converged after 4 iterations. iteration 623: trace = 2.578881666885643 (1.55368e-09% change) linmin: converged after 4 iterations. iteration 624: trace = 2.578881666850564 (1.36024e-09% change) linmin: converged after 15 iterations. iteration 625: trace = 2.57888166683229 (7.08595e-10% change) large trace change predicted (2.05077e-09%) linmin: converged after 9 iterations. iteration 626: trace = 2.578881666779403 (2.05076e-09% change) linmin: converged after 15 iterations. iteration 627: trace = 2.578881666765779 (5.28282e-10% change) large trace change predicted (4.16825e-09%) linmin: converged after 4 iterations. iteration 628: trace = 2.578881666658286 (4.16822e-09% change) linmin: converged after 4 iterations. iteration 629: trace = 2.578881666476756 (7.03908e-09% change) resetting CG direction... linmin: converged after 16 iterations. iteration 630: trace = 2.578881666427358 (1.91551e-09% change) linmin: converged after 4 iterations. iteration 631: trace = 2.57888166634616 (3.14858e-09% change) linmin: converged after 3 iterations. iteration 632: trace = 2.578881666301713 (1.72347e-09% change) linmin: converged after 8 iterations. iteration 633: trace = 2.578881666286381 (5.94528e-10% change) large trace change predicted (1.45508e-09%) linmin: converged after 6 iterations. iteration 634: trace = 2.578881666248852 (1.45525e-09% change) linmin: converged after 11 iterations. iteration 635: trace = 2.57888166623955 (3.60695e-10% change) large trace change predicted (9.64973e-10%) linmin: converged after 3 iterations. iteration 636: trace = 2.578881666214663 (9.65056e-10% change) linmin: converged after 6 iterations. iteration 637: trace = 2.578881666197109 (6.80681e-10% change) linmin: converged after 15 iterations. iteration 638: trace = 2.578881666189704 (2.87113e-10% change) large trace change predicted (1.60334e-09%) linmin: converged after 8 iterations. iteration 639: trace = 2.578881666148359 (1.60322e-09% change) linmin: converged after 18 iterations. iteration 640: trace = 2.578881666121805 (1.02968e-09% change) linmin: converged after 10 iterations. iteration 641: trace = 2.578881666098138 (9.17717e-10% change) linmin: converged after 2 iterations. iteration 642: trace = 2.578881666062671 (1.37529e-09% change) linmin: converged after 5 iterations. iteration 643: trace = 2.578881666052621 (3.89711e-10% change) large trace change predicted (1.1122e-09%) linmin: converged after 2 iterations. iteration 644: trace = 2.57888166602394 (1.11213e-09% change) linmin: converged after 7 iterations. iteration 645: trace = 2.578881665997421 (1.02832e-09% change) linmin: converged after 4 iterations. iteration 646: trace = 2.578881665974158 (9.02064e-10% change) linmin: converged after 7 iterations. iteration 647: trace = 2.578881665961454 (4.92602e-10% change) large trace change predicted (1.11078e-09%) linmin: converged after 3 iterations. iteration 648: trace = 2.578881665932811 (1.11069e-09% change) linmin: converged after 4 iterations. iteration 649: trace = 2.578881665915767 (6.60912e-10% change) linmin: converged after 6 iterations. iteration 650: trace = 2.578881665903058 (4.92791e-10% change) large trace change predicted (1.00676e-09%) linmin: converged after 4 iterations. iteration 651: trace = 2.578881665877094 (1.0068e-09% change) linmin: converged after 6 iterations. iteration 652: trace = 2.578881665855904 (8.21663e-10% change) linmin: converged after 17 iterations. iteration 653: trace = 2.578881665843047 (4.9856e-10% change) linmin: converged after 5 iterations. iteration 654: trace = 2.578881665819855 (8.99292e-10% change) linmin: converged after 4 iterations. iteration 655: trace = 2.578881665804665 (5.89018e-10% change) linmin: converged after 3 iterations. iteration 656: trace = 2.578881665797259 (2.87182e-10% change) large trace change predicted (1.08046e-09%) linmin: converged after 12 iterations. iteration 657: trace = 2.578881665769395 (1.08048e-09% change) linmin: converged after 13 iterations. iteration 658: trace = 2.578881665754666 (5.71143e-10% change) linmin: converged after 6 iterations. iteration 659: trace = 2.578881665729212 (9.86994e-10% change) linmin: converged after 8 iterations. iteration 660: trace = 2.578881665707911 (8.25985e-10% change) linmin: converged after 4 iterations. iteration 661: trace = 2.57888166566974 (1.48013e-09% change) linmin: converged after 11 iterations. iteration 662: trace = 2.578881665658413 (4.39236e-10% change) linmin: converged after 4 iterations. iteration 663: trace = 2.578881665636047 (8.67262e-10% change) linmin: converged after 3 iterations. iteration 664: trace = 2.578881665614025 (8.53951e-10% change) linmin: converged after 14 iterations. iteration 665: trace = 2.578881665607957 (2.3528e-10% change) large trace change predicted (6.68612e-10%) linmin: converged after 10 iterations. iteration 666: trace = 2.578881665590712 (6.68696e-10% change) linmin: converged after 7 iterations. iteration 667: trace = 2.578881665574896 (6.13298e-10% change) linmin: converged after 3 iterations. iteration 668: trace = 2.578881665569271 (2.18129e-10% change) large trace change predicted (7.59548e-10%) linmin: converged after 9 iterations. iteration 669: trace = 2.57888166554968 (7.5967e-10% change) linmin: converged after 6 iterations. iteration 670: trace = 2.578881665533695 (6.19842e-10% change) linmin: converged after 17 iterations. iteration 671: trace = 2.578881665528184 (2.13703e-10% change) large trace change predicted (4.37928e-10%) linmin: converged after 4 iterations. iteration 672: trace = 2.578881665516888 (4.38014e-10% change) linmin: converged after 3 iterations. iteration 673: trace = 2.578881665506376 (4.0762e-10% change) linmin: converged after 10 iterations. iteration 674: trace = 2.578881665501235 (1.99341e-10% change) large trace change predicted (5.01141e-10%) linmin: converged after 10 iterations. iteration 675: trace = 2.578881665488309 (5.01212e-10% change) linmin: converged after 4 iterations. iteration 676: trace = 2.578881665483904 (1.70842e-10% change) large trace change predicted (3.83256e-10%) linmin: converged after 4 iterations. iteration 677: trace = 2.578881665474019 (3.83305e-10% change) linmin: converged after 4 iterations. iteration 678: trace = 2.578881665458639 (5.96354e-10% change) linmin: converged after 7 iterations. iteration 679: trace = 2.578881665442875 (6.11284e-10% change) linmin: converged after 3 iterations. iteration 680: trace = 2.578881665438046 (1.8727e-10% change) large trace change predicted (8.06272e-10%) linmin: converged after 6 iterations. iteration 681: trace = 2.578881665417255 (8.06199e-10% change) linmin: converged after 7 iterations. iteration 682: trace = 2.578881665411653 (2.17216e-10% change) large trace change predicted (4.52928e-10%) linmin: converged after 3 iterations. iteration 683: trace = 2.578881665399974 (4.52875e-10% change) linmin: converged after 6 iterations. iteration 684: trace = 2.578881665382807 (6.65648e-10% change) linmin: converged after 6 iterations. iteration 685: trace = 2.578881665373721 (3.5236e-10% change) linmin: converged after 6 iterations. iteration 686: trace = 2.578881665363725 (3.8761e-10% change) linmin: converged after 3 iterations. iteration 687: trace = 2.578881665352053 (4.52582e-10% change) linmin: converged after 2 iterations. iteration 688: trace = 2.578881665337936 (5.47414e-10% change) linmin: converged after 3 iterations. iteration 689: trace = 2.578881665332009 (2.29821e-10% change) linmin: converged after 3 iterations. iteration 690: trace = 2.578881665327518 (1.74165e-10% change) large trace change predicted (4.37015e-10%) linmin: converged after 2 iterations. iteration 691: trace = 2.578881665316247 (4.37032e-10% change) linmin: converged after 3 iterations. iteration 692: trace = 2.578881665314663 (6.14073e-11% change) Finished solving for bands 1 to 10 after 692 iterations. tmfreqs:, 6, 0.5, 0.333333, 0, 0.600925, 0.214081, 0.353217, 0.365001, 0.471977, 0.507165, 0.51079, 0.563894, 0.615052, 0.646178, 0.648357 elapsed time for k point: 13.972343683242798 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.744311574667207 (2.29524% change) linmin: converged after 4 iterations. iteration 2: trace = 2.727853117946004 (0.601534% change) linmin: converged after 4 iterations. iteration 3: trace = 2.71244451055789 (0.566462% change) linmin: converged after 3 iterations. iteration 4: trace = 2.709059615955356 (0.124869% change) large trace change predicted (0.449865%) linmin: converged after 5 iterations. iteration 5: trace = 2.697340860176016 (0.433514% change) linmin: converged after 3 iterations. iteration 6: trace = 2.694429804678014 (0.107981% change) linmin: converged after 4 iterations. iteration 7: trace = 2.68969059516848 (0.176044% change) linmin: converged after 4 iterations. iteration 8: trace = 2.684920604842402 (0.177501% change) linmin: converged after 4 iterations. iteration 9: trace = 2.683317620329168 (0.0597211% change) large trace change predicted (0.123464%) linmin: converged after 4 iterations. iteration 10: trace = 2.680110943698557 (0.119576% change) linmin: converged after 4 iterations. iteration 11: trace = 2.678993917434885 (0.041687% change) linmin: converged after 4 iterations. iteration 12: trace = 2.677047379703496 (0.0726857% change) linmin: converged after 4 iterations. iteration 13: trace = 2.675749468046455 (0.0484947% change) linmin: converged after 4 iterations. iteration 14: trace = 2.675253305552765 (0.0185447% change) large trace change predicted (0.0689956%) linmin: converged after 5 iterations. iteration 15: trace = 2.673466574310829 (0.0668097% change) linmin: converged after 4 iterations. iteration 16: trace = 2.672597520003229 (0.0325119% change) large trace change predicted (0.0848725%) linmin: converged after 5 iterations. iteration 17: trace = 2.67055617523919 (0.0764097% change) linmin: converged after 6 iterations. iteration 18: trace = 2.669703736299591 (0.031925% change) linmin: converged after 6 iterations. iteration 19: trace = 2.668900207540813 (0.0301026% change) linmin: converged after 4 iterations. iteration 20: trace = 2.668441628914763 (0.0171838% change) linmin: converged after 4 iterations. iteration 21: trace = 2.667894168908386 (0.0205182% change) linmin: converged after 4 iterations. iteration 22: trace = 2.667712293837407 (0.00681741% change) linmin: converged after 4 iterations. iteration 23: trace = 2.667380524985229 (0.0124372% change) linmin: converged after 4 iterations. iteration 24: trace = 2.667218959295705 (0.00605728% change) large trace change predicted (0.0140636%) linmin: converged after 4 iterations. iteration 25: trace = 2.666847627089914 (0.013923% change) linmin: converged after 4 iterations. iteration 26: trace = 2.666714490092618 (0.00499242% change) large trace change predicted (0.0115126%) linmin: converged after 4 iterations. iteration 27: trace = 2.666407912533066 (0.0114971% change) linmin: converged after 3 iterations. iteration 28: trace = 2.666220196744611 (0.00704027% change) linmin: converged after 4 iterations. iteration 29: trace = 2.665972999907439 (0.00927186% change) linmin: converged after 4 iterations. iteration 30: trace = 2.665789088311043 (0.00689872% change) linmin: converged after 4 iterations. iteration 31: trace = 2.665603982625032 (0.00694399% change) linmin: converged after 3 iterations. iteration 32: trace = 2.665322298318973 (0.0105679% change) linmin: converged after 3 iterations. iteration 33: trace = 2.665175261734988 (0.00551681% change) linmin: converged after 3 iterations. iteration 34: trace = 2.664933827339076 (0.00905927% change) linmin: converged after 3 iterations. iteration 35: trace = 2.664826885021372 (0.00401303% change) large trace change predicted (0.00927266%) linmin: converged after 4 iterations. iteration 36: trace = 2.664575585931504 (0.00943067% change) linmin: converged after 3 iterations. iteration 37: trace = 2.664485988813069 (0.00336259% change) large trace change predicted (0.0082459%) linmin: converged after 3 iterations. iteration 38: trace = 2.664263129966367 (0.0083644% change) linmin: converged after 3 iterations. iteration 39: trace = 2.664167611696401 (0.00358523% change) large trace change predicted (0.00963733%) linmin: converged after 3 iterations. iteration 40: trace = 2.663907567259236 (0.00976129% change) linmin: converged after 4 iterations. iteration 41: trace = 2.663804948423643 (0.00385227% change) large trace change predicted (0.0104151%) linmin: converged after 4 iterations. iteration 42: trace = 2.663525653624321 (0.0104854% change) linmin: converged after 4 iterations. iteration 43: trace = 2.663401532566575 (0.00466014% change) large trace change predicted (0.00944303%) linmin: converged after 4 iterations. iteration 44: trace = 2.663149020594467 (0.00948126% change) linmin: converged after 5 iterations. iteration 45: trace = 2.66304482451424 (0.00391259% change) large trace change predicted (0.00794143%) linmin: converged after 6 iterations. iteration 46: trace = 2.662833266886918 (0.00794452% change) linmin: converged after 4 iterations. iteration 47: trace = 2.662716748141425 (0.00437584% change) linmin: converged after 4 iterations. iteration 48: trace = 2.662492818762426 (0.00841016% change) linmin: converged after 9 iterations. iteration 49: trace = 2.662363134342998 (0.00487091% change) linmin: converged after 4 iterations. iteration 50: trace = 2.662194312151207 (0.00634127% change) linmin: converged after 4 iterations. iteration 51: trace = 2.662058199329937 (0.00511294% change) linmin: converged after 4 iterations. iteration 52: trace = 2.661879894018379 (0.00669825% change) linmin: converged after 4 iterations. iteration 53: trace = 2.661724360398109 (0.00584317% change) linmin: converged after 4 iterations. iteration 54: trace = 2.661571499502938 (0.00574309% change) linmin: converged after 4 iterations. iteration 55: trace = 2.661350549527527 (0.00830183% change) linmin: converged after 4 iterations. iteration 56: trace = 2.661190775555549 (0.00600367% change) linmin: converged after 4 iterations. iteration 57: trace = 2.660967626609826 (0.00838566% change) linmin: converged after 6 iterations. iteration 58: trace = 2.660849177034001 (0.00445147% change) large trace change predicted (0.00999652%) linmin: converged after 4 iterations. iteration 59: trace = 2.66058604661447 (0.00988945% change) linmin: converged after 4 iterations. iteration 60: trace = 2.660492828381781 (0.00350373% change) large trace change predicted (0.00837978%) linmin: converged after 4 iterations. iteration 61: trace = 2.660271626948154 (0.00831465% change) linmin: converged after 20 iterations. iteration 62: trace = 2.660168652464744 (0.0038709% change) large trace change predicted (0.0102894%) linmin: converged after 4 iterations. iteration 63: trace = 2.659896396102076 (0.0102351% change) linmin: converged after 5 iterations. iteration 64: trace = 2.659777342505347 (0.00447597% change) linmin: converged after 4 iterations. iteration 65: trace = 2.659570140681193 (0.0077905% change) linmin: converged after 3 iterations. iteration 66: trace = 2.659406492200811 (0.00615338% change) linmin: converged after 3 iterations. iteration 67: trace = 2.659264274476398 (0.00534787% change) linmin: converged after 4 iterations. iteration 68: trace = 2.659119302267011 (0.00545174% change) linmin: converged after 4 iterations. iteration 69: trace = 2.659023777153228 (0.00359242% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.658915718126512 (0.00406394% change) large trace change predicted (0.0163839%) linmin: converged after 3 iterations. iteration 71: trace = 2.658478085841819 (0.0164604% change) linmin: converged after 3 iterations. iteration 72: trace = 2.658118912634733 (0.0135114% change) linmin: converged after 3 iterations. iteration 73: trace = 2.657882838785387 (0.00888163% change) linmin: converged after 3 iterations. iteration 74: trace = 2.657598214840108 (0.0107092% change) linmin: converged after 3 iterations. iteration 75: trace = 2.657541434675571 (0.00213654% change) large trace change predicted (0.0046295%) linmin: converged after 3 iterations. iteration 76: trace = 2.65741819091989 (0.00463762% change) linmin: converged after 3 iterations. iteration 77: trace = 2.657346057231142 (0.00271446% change) linmin: converged after 6 iterations. iteration 78: trace = 2.657324652562423 (0.000805494% change) large trace change predicted (0.00211721%) linmin: converged after 3 iterations. iteration 79: trace = 2.657268271825094 (0.00212173% change) linmin: converged after 3 iterations. iteration 80: trace = 2.657245592926845 (0.00085347% change) linmin: converged after 3 iterations. iteration 81: trace = 2.657219545675509 (0.00098024% change) linmin: converged after 3 iterations. iteration 82: trace = 2.657182564557321 (0.00139173% change) linmin: converged after 3 iterations. iteration 83: trace = 2.657167976626469 (0.000549001% change) large trace change predicted (0.00207291%) linmin: converged after 3 iterations. iteration 84: trace = 2.65711284348072 (0.00207491% change) linmin: converged after 3 iterations. iteration 85: trace = 2.657052010211539 (0.00228948% change) linmin: converged after 9 iterations. iteration 86: trace = 2.657017522198968 (0.00129799% change) large trace change predicted (0.00419284%) linmin: converged after 3 iterations. iteration 87: trace = 2.656905850179513 (0.004203% change) linmin: converged after 4 iterations. iteration 88: trace = 2.656840705078439 (0.00245195% change) linmin: converged after 3 iterations. iteration 89: trace = 2.656716163251012 (0.0046877% change) linmin: converged after 5 iterations. iteration 90: trace = 2.656564672821201 (0.00570233% change) linmin: converged after 3 iterations. iteration 91: trace = 2.656504311053792 (0.0022722% change) large trace change predicted (0.00808369%) linmin: converged after 4 iterations. iteration 92: trace = 2.656289736446306 (0.00807766% change) linmin: converged after 3 iterations. iteration 93: trace = 2.656193388291753 (0.00362724% change) linmin: converged after 4 iterations. iteration 94: trace = 2.656063336685433 (0.00489628% change) linmin: converged after 4 iterations. iteration 95: trace = 2.655889817385129 (0.00653316% change) linmin: converged after 4 iterations. iteration 96: trace = 2.655839070457504 (0.00191075% change) large trace change predicted (0.00421296%) linmin: converged after 3 iterations. iteration 97: trace = 2.655727185730216 (0.00421287% change) linmin: converged after 4 iterations. iteration 98: trace = 2.655616085123535 (0.00418352% change) linmin: converged after 4 iterations. iteration 99: trace = 2.655571154096181 (0.00169194% change) linmin: converged after 3 iterations. iteration 100: trace = 2.655503767505345 (0.00253759% change) linmin: converged after 3 iterations. iteration 101: trace = 2.655488933696787 (0.000558608% change) large trace change predicted (0.00182263%) linmin: converged after 4 iterations. iteration 102: trace = 2.65544055521551 (0.00182185% change) linmin: converged after 4 iterations. iteration 103: trace = 2.655383158975358 (0.00216148% change) linmin: converged after 5 iterations. iteration 104: trace = 2.655357471644959 (0.000967373% change) large trace change predicted (0.00357573%) linmin: converged after 4 iterations. iteration 105: trace = 2.655262475592894 (0.00357759% change) linmin: converged after 4 iterations. iteration 106: trace = 2.655229534830131 (0.00124059% change) large trace change predicted (0.00270438%) linmin: converged after 3 iterations. iteration 107: trace = 2.655157664895658 (0.00270677% change) linmin: converged after 3 iterations. iteration 108: trace = 2.655030916200553 (0.00477379% change) linmin: converged after 4 iterations. iteration 109: trace = 2.654980449957695 (0.0019008% change) large trace change predicted (0.00534909%) linmin: converged after 4 iterations. iteration 110: trace = 2.654838314340453 (0.00535369% change) linmin: converged after 4 iterations. iteration 111: trace = 2.654712100142427 (0.00475423% change) linmin: converged after 4 iterations. iteration 112: trace = 2.654658468199023 (0.00202028% change) linmin: converged after 4 iterations. iteration 113: trace = 2.654566810261807 (0.00345278% change) linmin: converged after 4 iterations. iteration 114: trace = 2.654539476973942 (0.00102968% change) large trace change predicted (0.00383259%) linmin: converged after 4 iterations. iteration 115: trace = 2.654437766455894 (0.00383164% change) linmin: converged after 4 iterations. iteration 116: trace = 2.654364508694127 (0.00275986% change) linmin: converged after 3 iterations. iteration 117: trace = 2.654340176190058 (0.000916702% change) large trace change predicted (0.00275129%) linmin: converged after 3 iterations. iteration 118: trace = 2.654267192979274 (0.00274962% change) linmin: converged after 3 iterations. iteration 119: trace = 2.654255150247096 (0.000453713% change) large trace change predicted (0.00136309%) linmin: converged after 3 iterations. iteration 120: trace = 2.654218988883787 (0.0013624% change) linmin: converged after 3 iterations. iteration 121: trace = 2.65420085390489 (0.000683253% change) linmin: converged after 4 iterations. iteration 122: trace = 2.654193385619847 (0.000281376% change) large trace change predicted (0.000758552%) linmin: converged after 4 iterations. iteration 123: trace = 2.65417325342595 (0.000758508% change) linmin: converged after 6 iterations. iteration 124: trace = 2.654167277949433 (0.000225135% change) linmin: converged after 3 iterations. iteration 125: trace = 2.654157920198275 (0.000352569% change) linmin: converged after 3 iterations. iteration 126: trace = 2.654147424689477 (0.000395437% change) linmin: converged after 4 iterations. iteration 127: trace = 2.654143561948818 (0.000145536% change) large trace change predicted (0.000376524%) linmin: converged after 3 iterations. iteration 128: trace = 2.654133568259911 (0.000376532% change) linmin: converged after 3 iterations. iteration 129: trace = 2.654120954973361 (0.000475233% change) linmin: converged after 6 iterations. iteration 130: trace = 2.654109189456757 (0.000443293% change) linmin: converged after 3 iterations. iteration 131: trace = 2.654085872483793 (0.000878527% change) linmin: converged after 6 iterations. iteration 132: trace = 2.654077824420193 (0.000303233% change) large trace change predicted (0.000990297%) linmin: converged after 3 iterations. iteration 133: trace = 2.654051526627868 (0.00099085% change) linmin: converged after 4 iterations. iteration 134: trace = 2.654040103849827 (0.000430391% change) linmin: converged after 3 iterations. iteration 135: trace = 2.654033611677057 (0.000244615% change) linmin: converged after 4 iterations. iteration 136: trace = 2.654022207839816 (0.00042968% change) linmin: converged after 3 iterations. iteration 137: trace = 2.654018088218519 (0.000155222% change) large trace change predicted (0.000480638%) linmin: converged after 3 iterations. iteration 138: trace = 2.65400533116755 (0.00048067% change) linmin: converged after 3 iterations. iteration 139: trace = 2.65399702272566 (0.000313053% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.653995082620812 (7.31013e-05% change) linmin: converged after 4 iterations. iteration 141: trace = 2.653992467664645 (9.85291e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.653990147779375 (8.74112e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.653988583355131 (5.89461e-05% change) linmin: converged after 6 iterations. iteration 144: trace = 2.653985742606153 (0.000107037% change) linmin: converged after 3 iterations. iteration 145: trace = 2.653984642681155 (4.14443e-05% change) linmin: converged after 4 iterations. iteration 146: trace = 2.653982739340472 (7.17164e-05% change) linmin: converged after 4 iterations. iteration 147: trace = 2.653979599006473 (0.000118325% change) linmin: converged after 5 iterations. iteration 148: trace = 2.653979054994211 (2.0498e-05% change) large trace change predicted (9.46892e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.653976541858454 (9.46932e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.653975152470882 (5.23512e-05% change) linmin: converged after 4 iterations. iteration 151: trace = 2.653973694006666 (5.4954e-05% change) large trace change predicted (0.000111658%) linmin: converged after 5 iterations. iteration 152: trace = 2.653970730680776 (0.000111656% change) linmin: converged after 3 iterations. iteration 153: trace = 2.653968430466015 (8.66707e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 2.653966786388294 (6.19479e-05% change) large trace change predicted (0.000206063%) linmin: converged after 5 iterations. iteration 155: trace = 2.653961317235299 (0.000206075% change) linmin: converged after 3 iterations. iteration 156: trace = 2.653959584270279 (6.52973e-05% change) large trace change predicted (0.000249187%) linmin: converged after 4 iterations. iteration 157: trace = 2.653952971036999 (0.000249184% change) linmin: converged after 4 iterations. iteration 158: trace = 2.653947553698063 (0.000204124% change) linmin: converged after 5 iterations. iteration 159: trace = 2.653944312591652 (0.000122124% change) large trace change predicted (0.000321188%) linmin: converged after 4 iterations. iteration 160: trace = 2.653935786300305 (0.000321269% change) linmin: converged after 4 iterations. iteration 161: trace = 2.653926970870961 (0.000332165% change) linmin: converged after 4 iterations. iteration 162: trace = 2.653925364174848 (6.05403e-05% change) large trace change predicted (0.000210624%) linmin: converged after 4 iterations. iteration 163: trace = 2.653919773823988 (0.000210645% change) linmin: converged after 3 iterations. iteration 164: trace = 2.653917944995036 (6.89105e-05% change) linmin: converged after 5 iterations. iteration 165: trace = 2.653915877726025 (7.7895e-05% change) linmin: converged after 3 iterations. iteration 166: trace = 2.65391345688494 (9.12177e-05% change) linmin: converged after 4 iterations. iteration 167: trace = 2.653912727124404 (2.74975e-05% change) large trace change predicted (0.000100177%) linmin: converged after 5 iterations. iteration 168: trace = 2.653910068291701 (0.000100185% change) linmin: converged after 4 iterations. iteration 169: trace = 2.653908239268866 (6.89181e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 2.653907656703521 (2.19512e-05% change) large trace change predicted (7.39094e-05%) linmin: converged after 3 iterations. iteration 171: trace = 2.653905695486487 (7.38992e-05% change) linmin: converged after 7 iterations. iteration 172: trace = 2.653904100326804 (6.01061e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.653903597919583 (1.89309e-05% change) large trace change predicted (6.96939e-05%) linmin: converged after 3 iterations. iteration 174: trace = 2.653901748505052 (6.96866e-05% change) linmin: converged after 4 iterations. iteration 175: trace = 2.653900308545301 (5.42582e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.653899660856318 (2.44052e-05% change) large trace change predicted (8.2109e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.653897482000195 (8.21002e-05% change) linmin: converged after 4 iterations. iteration 178: trace = 2.653894910227098 (9.69056e-05% change) linmin: converged after 5 iterations. iteration 179: trace = 2.653893732732395 (4.43686e-05% change) large trace change predicted (0.000173731%) linmin: converged after 6 iterations. iteration 180: trace = 2.653889121988387 (0.000173735% change) linmin: converged after 5 iterations. iteration 181: trace = 2.653888297927626 (3.10511e-05% change) large trace change predicted (9.89459e-05%) linmin: converged after 4 iterations. iteration 182: trace = 2.653885671793658 (9.89543e-05% change) linmin: converged after 3 iterations. iteration 183: trace = 2.653883788472947 (7.09647e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.65388245427437 (5.02734e-05% change) linmin: converged after 3 iterations. iteration 185: trace = 2.653880513418801 (7.31327e-05% change) linmin: converged after 3 iterations. iteration 186: trace = 2.653880023419451 (1.84635e-05% change) linmin: converged after 4 iterations. iteration 187: trace = 2.6538792728542 (2.82818e-05% change) linmin: converged after 18 iterations. iteration 188: trace = 2.653878603114973 (2.52362e-05% change) linmin: converged after 3 iterations. iteration 189: trace = 2.653878402551011 (7.55739e-06% change) large trace change predicted (1.88834e-05%) linmin: converged after 14 iterations. iteration 190: trace = 2.653877901413091 (1.88832e-05% change) linmin: converged after 4 iterations. iteration 191: trace = 2.653877424861538 (1.79568e-05% change) linmin: converged after 2 iterations. iteration 192: trace = 2.653877311341079 (4.27753e-06% change) large trace change predicted (1.21209e-05%) linmin: converged after 3 iterations. iteration 193: trace = 2.653876989670022 (1.21208e-05% change) linmin: converged after 4 iterations. iteration 194: trace = 2.653876706417716 (1.06732e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.65387650483698 (7.59571e-06% change) large trace change predicted (1.82588e-05%) linmin: converged after 4 iterations. iteration 196: trace = 2.65387602028706 (1.82582e-05% change) linmin: converged after 4 iterations. iteration 197: trace = 2.653875739499581 (1.05803e-05% change) large trace change predicted (2.5447e-05%) linmin: converged after 3 iterations. iteration 198: trace = 2.653875064204512 (2.54456e-05% change) linmin: converged after 4 iterations. iteration 199: trace = 2.653874157371029 (3.41702e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.653873609755339 (2.06346e-05% change) linmin: converged after 3 iterations. iteration 201: trace = 2.65387295360848 (2.47241e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.653871903938423 (3.95524e-05% change) linmin: converged after 3 iterations. iteration 203: trace = 2.653871579374194 (1.22298e-05% change) large trace change predicted (3.35348e-05%) linmin: converged after 3 iterations. iteration 204: trace = 2.653870689341813 (3.35371e-05% change) linmin: converged after 3 iterations. iteration 205: trace = 2.653870159646162 (1.99594e-05% change) linmin: converged after 2 iterations. iteration 206: trace = 2.65386999572923 (6.17652e-06% change) linmin: converged after 4 iterations. iteration 207: trace = 2.653869679325743 (1.19223e-05% change) linmin: converged after 3 iterations. iteration 208: trace = 2.653869397561833 (1.06171e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.65386908227399 (1.18803e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 210: trace = 2.653868918711269 (6.16318e-06% change) linmin: converged after 3 iterations. iteration 211: trace = 2.653868849820439 (2.59586e-06% change) linmin: converged after 2 iterations. iteration 212: trace = 2.653868731610791 (4.45424e-06% change) linmin: converged after 4 iterations. iteration 213: trace = 2.653868648814544 (3.11983e-06% change) large trace change predicted (6.35218e-06%) linmin: converged after 2 iterations. iteration 214: trace = 2.653868480224529 (6.35261e-06% change) linmin: converged after 3 iterations. iteration 215: trace = 2.653868244572324 (8.87957e-06% change) linmin: converged after 4 iterations. iteration 216: trace = 2.653868176013428 (2.58336e-06% change) large trace change predicted (9.65906e-06%) linmin: converged after 2 iterations. iteration 217: trace = 2.653867919666022 (9.65939e-06% change) linmin: converged after 3 iterations. iteration 218: trace = 2.653867611043113 (1.16292e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.653867456767852 (5.81322e-06% change) large trace change predicted (1.48395e-05%) linmin: converged after 2 iterations. iteration 220: trace = 2.653867062945582 (1.48396e-05% change) linmin: converged after 19 iterations. iteration 221: trace = 2.65386690298555 (6.02743e-06% change) linmin: converged after 2 iterations. iteration 222: trace = 2.653866668634028 (8.83057e-06% change) linmin: converged after 16 iterations. iteration 223: trace = 2.653866373752431 (1.11114e-05% change) linmin: converged after 2 iterations. iteration 224: trace = 2.653866284911417 (3.34761e-06% change) large trace change predicted (6.74483e-06%) linmin: converged after 5 iterations. iteration 225: trace = 2.65386610591802 (6.74463e-06% change) linmin: converged after 3 iterations. iteration 226: trace = 2.653865954246066 (5.71513e-06% change) linmin: converged after 2 iterations. iteration 227: trace = 2.653865916719617 (1.41403e-06% change) large trace change predicted (5.28616e-06%) linmin: converged after 7 iterations. iteration 228: trace = 2.65386577643779 (5.28594e-06% change) linmin: converged after 3 iterations. iteration 229: trace = 2.653865716334208 (2.26476e-06% change) linmin: converged after 3 iterations. iteration 230: trace = 2.653865641889242 (2.80515e-06% change) linmin: converged after 3 iterations. iteration 231: trace = 2.653865568666613 (2.75909e-06% change) linmin: converged after 4 iterations. iteration 232: trace = 2.653865529618157 (1.47138e-06% change) large trace change predicted (3.00715e-06%) linmin: converged after 4 iterations. iteration 233: trace = 2.653865449817913 (3.00694e-06% change) linmin: converged after 3 iterations. iteration 234: trace = 2.653865313215653 (5.14729e-06% change) linmin: converged after 3 iterations. iteration 235: trace = 2.653865258538163 (2.0603e-06% change) large trace change predicted (4.91167e-06%) linmin: converged after 7 iterations. iteration 236: trace = 2.653865128189785 (4.91164e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.653864890307751 (8.96361e-06% change) linmin: converged after 2 iterations. iteration 238: trace = 2.653864831531433 (2.21474e-06% change) large trace change predicted (1.44871e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.653864447072037 (1.44868e-05% change) linmin: converged after 2 iterations. iteration 240: trace = 2.653864081939598 (1.37585e-05% change) linmin: converged after 7 iterations. iteration 241: trace = 2.65386397510462 (4.02564e-06% change) linmin: converged after 2 iterations. iteration 242: trace = 2.653863762083589 (8.02683e-06% change) linmin: converged after 2 iterations. iteration 243: trace = 2.653863477098043 (1.07385e-05% change) linmin: converged after 3 iterations. iteration 244: trace = 2.653863414503153 (2.35863e-06% change) large trace change predicted (8.0413e-06%) linmin: converged after 3 iterations. iteration 245: trace = 2.653863201086962 (8.04172e-06% change) linmin: converged after 3 iterations. iteration 246: trace = 2.653863075080817 (4.74803e-06% change) linmin: converged after 4 iterations. iteration 247: trace = 2.653862984999353 (3.39435e-06% change) linmin: converged after 11 iterations. iteration 248: trace = 2.653862845351906 (5.26204e-06% change) linmin: converged after 2 iterations. iteration 249: trace = 2.653862771749297 (2.77341e-06% change) linmin: converged after 3 iterations. iteration 250: trace = 2.653862738315406 (1.25982e-06% change) large trace change predicted (2.66051e-06%) linmin: converged after 10 iterations. iteration 251: trace = 2.653862667709904 (2.66048e-06% change) linmin: converged after 3 iterations. iteration 252: trace = 2.653862651917002 (5.95091e-07% change) large trace change predicted (1.88885e-06%) linmin: converged after 3 iterations. iteration 253: trace = 2.653862601789612 (1.88885e-06% change) linmin: converged after 4 iterations. iteration 254: trace = 2.653862557084117 (1.68454e-06% change) linmin: converged after 3 iterations. iteration 255: trace = 2.653862537913918 (7.22351e-07% change) large trace change predicted (2.21034e-06%) linmin: converged after 3 iterations. iteration 256: trace = 2.653862479256425 (2.21027e-06% change) linmin: converged after 4 iterations. iteration 257: trace = 2.653862409471131 (2.62957e-06% change) linmin: converged after 3 iterations. iteration 258: trace = 2.65386235804288 (1.93786e-06% change) large trace change predicted (4.2118e-06%) linmin: converged after 7 iterations. iteration 259: trace = 2.653862246272262 (4.21162e-06% change) linmin: converged after 2 iterations. iteration 260: trace = 2.653862164403666 (3.08488e-06% change) linmin: converged after 4 iterations. iteration 261: trace = 2.653862124278266 (1.51196e-06% change) large trace change predicted (4.15169e-06%) linmin: converged after 2 iterations. iteration 262: trace = 2.653862014097951 (4.1517e-06% change) linmin: converged after 26 iterations. iteration 263: trace = 2.653861986047237 (1.05698e-06% change) large trace change predicted (3.31821e-06%) linmin: converged after 3 iterations. iteration 264: trace = 2.653861897983881 (3.31831e-06% change) linmin: converged after 2 iterations. iteration 265: trace = 2.653861839385862 (2.20803e-06% change) linmin: converged after 13 iterations. iteration 266: trace = 2.653861809615484 (1.12178e-06% change) linmin: converged after 2 iterations. iteration 267: trace = 2.653861760541489 (1.84915e-06% change) linmin: converged after 5 iterations. iteration 268: trace = 2.653861721213195 (1.48193e-06% change) linmin: converged after 2 iterations. iteration 269: trace = 2.653861709994519 (4.2273e-07% change) large trace change predicted (8.74922e-07%) linmin: converged after 2 iterations. iteration 270: trace = 2.653861686775162 (8.74927e-07% change) linmin: converged after 16 iterations. iteration 271: trace = 2.653861669655633 (6.4508e-07% change) linmin: converged after 2 iterations. iteration 272: trace = 2.653861664846628 (1.81208e-07% change) large trace change predicted (5.08678e-07%) linmin: converged after 15 iterations. iteration 273: trace = 2.653861651346887 (5.08683e-07% change) linmin: converged after 2 iterations. iteration 274: trace = 2.653861642170119 (3.45789e-07% change) linmin: converged after 2 iterations. iteration 275: trace = 2.653861637476245 (1.7687e-07% change) large trace change predicted (5.1016e-07%) linmin: converged after 2 iterations. iteration 276: trace = 2.653861623937292 (5.1016e-07% change) linmin: converged after 7 iterations. iteration 277: trace = 2.653861617669348 (2.36182e-07% change) linmin: converged after 3 iterations. iteration 278: trace = 2.65386161093726 (2.53671e-07% change) large trace change predicted (1.70115e-06%) linmin: converged after 5 iterations. iteration 279: trace = 2.653861565791637 (1.70113e-06% change) resetting CG direction... linmin: converged after 13 iterations. iteration 280: trace = 2.653861556264141 (3.59005e-07% change) large trace change predicted (8.15377e-07%) linmin: converged after 2 iterations. iteration 281: trace = 2.653861534625047 (8.15381e-07% change) linmin: converged after 2 iterations. iteration 282: trace = 2.653861525160591 (3.5663e-07% change) linmin: converged after 2 iterations. iteration 283: trace = 2.653861519835786 (2.00644e-07% change) linmin: converged after 2 iterations. iteration 284: trace = 2.653861510152985 (3.64857e-07% change) linmin: converged after 27 iterations. iteration 285: trace = 2.653861506636679 (1.32498e-07% change) large trace change predicted (2.86526e-07%) linmin: converged after 4 iterations. iteration 286: trace = 2.653861499032772 (2.86522e-07% change) linmin: converged after 4 iterations. iteration 287: trace = 2.653861489125874 (3.73301e-07% change) linmin: converged after 3 iterations. iteration 288: trace = 2.65386148628962 (1.06873e-07% change) large trace change predicted (3.66411e-07%) linmin: converged after 4 iterations. iteration 289: trace = 2.653861476565591 (3.66411e-07% change) linmin: converged after 4 iterations. iteration 290: trace = 2.653861466675863 (3.72654e-07% change) linmin: converged after 10 iterations. iteration 291: trace = 2.653861458331197 (3.14435e-07% change) large trace change predicted (7.52571e-07%) linmin: converged after 2 iterations. iteration 292: trace = 2.653861438358931 (7.52574e-07% change) linmin: converged after 2 iterations. iteration 293: trace = 2.65386141728295 (7.94163e-07% change) linmin: converged after 4 iterations. iteration 294: trace = 2.653861408876714 (3.16755e-07% change) large trace change predicted (9.2866e-07%) linmin: converged after 3 iterations. iteration 295: trace = 2.653861384231577 (9.28652e-07% change) linmin: converged after 3 iterations. iteration 296: trace = 2.653861365026916 (7.2365e-07% change) linmin: converged after 2 iterations. iteration 297: trace = 2.653861353120261 (4.48654e-07% change) large trace change predicted (1.27094e-06%) linmin: converged after 16 iterations. iteration 298: trace = 2.65386131939162 (1.27093e-06% change) linmin: converged after 4 iterations. iteration 299: trace = 2.653861309654826 (3.66892e-07% change) large trace change predicted (1.02583e-06%) linmin: converged after 8 iterations. iteration 300: trace = 2.653861282431003 (1.02582e-06% change) linmin: converged after 5 iterations. iteration 301: trace = 2.653861262070454 (7.67205e-07% change) linmin: converged after 4 iterations. iteration 302: trace = 2.653861255314399 (2.54575e-07% change) large trace change predicted (7.67781e-07%) linmin: converged after 18 iterations. iteration 303: trace = 2.653861234938023 (7.67801e-07% change) linmin: converged after 4 iterations. iteration 304: trace = 2.653861228793449 (2.31533e-07% change) linmin: converged after 20 iterations. iteration 305: trace = 2.653861216776249 (4.52819e-07% change) linmin: converged after 9 iterations. iteration 306: trace = 2.653861207883902 (3.35072e-07% change) linmin: converged after 4 iterations. iteration 307: trace = 2.653861201237855 (2.50429e-07% change) linmin: converged after 3 iterations. iteration 308: trace = 2.653861198333376 (1.09444e-07% change) large trace change predicted (3.58203e-07%) linmin: converged after 2 iterations. iteration 309: trace = 2.653861188827178 (3.58203e-07% change) linmin: converged after 18 iterations. iteration 310: trace = 2.653861180127839 (3.27799e-07% change) linmin: converged after 3 iterations. iteration 311: trace = 2.6538611773495 (1.0469e-07% change) large trace change predicted (3.45692e-07%) linmin: converged after 3 iterations. iteration 312: trace = 2.653861168175366 (3.4569e-07% change) linmin: converged after 3 iterations. iteration 313: trace = 2.653861159027072 (3.44716e-07% change) linmin: converged after 3 iterations. iteration 314: trace = 2.653861151632435 (2.78637e-07% change) linmin: converged after 12 iterations. iteration 315: trace = 2.653861137584575 (5.29337e-07% change) linmin: converged after 24 iterations. iteration 316: trace = 2.653861133169782 (1.66354e-07% change) large trace change predicted (5.93123e-07%) linmin: converged after 4 iterations. iteration 317: trace = 2.653861117429137 (5.93122e-07% change) linmin: converged after 3 iterations. iteration 318: trace = 2.653861104810906 (4.75467e-07% change) linmin: converged after 3 iterations. iteration 319: trace = 2.653861100302453 (1.69883e-07% change) large trace change predicted (4.92271e-07%) linmin: converged after 8 iterations. iteration 320: trace = 2.65386108723831 (4.92269e-07% change) linmin: converged after 2 iterations. iteration 321: trace = 2.65386107577582 (4.31917e-07% change) linmin: converged after 2 iterations. iteration 322: trace = 2.653861069447402 (2.38461e-07% change) linmin: converged after 2 iterations. iteration 323: trace = 2.653861061257701 (3.08596e-07% change) linmin: converged after 2 iterations. iteration 324: trace = 2.653861056489411 (1.79674e-07% change) linmin: converged after 7 iterations. iteration 325: trace = 2.653861055016416 (5.55038e-08% change) linmin: converged after 4 iterations. iteration 326: trace = 2.653861052554348 (9.27731e-08% change) linmin: converged after 2 iterations. iteration 327: trace = 2.653861049894424 (1.00228e-07% change) linmin: converged after 4 iterations. iteration 328: trace = 2.653861049116599 (2.93092e-08% change) large trace change predicted (6.64833e-08%) linmin: converged after 4 iterations. iteration 329: trace = 2.653861047352223 (6.64834e-08% change) linmin: converged after 4 iterations. iteration 330: trace = 2.653861046288891 (4.00674e-08% change) linmin: converged after 9 iterations. iteration 331: trace = 2.653861045028908 (4.74773e-08% change) linmin: converged after 4 iterations. iteration 332: trace = 2.65386104284444 (8.23128e-08% change) linmin: converged after 3 iterations. iteration 333: trace = 2.653861042235532 (2.29442e-08% change) large trace change predicted (1.14333e-07%) linmin: converged after 22 iterations. iteration 334: trace = 2.653861039201277 (1.14334e-07% change) linmin: converged after 7 iterations. iteration 335: trace = 2.653861036468943 (1.02957e-07% change) linmin: converged after 4 iterations. iteration 336: trace = 2.653861034990104 (5.57241e-08% change) large trace change predicted (1.64959e-07%) linmin: converged after 4 iterations. iteration 337: trace = 2.653861030612318 (1.64959e-07% change) linmin: converged after 2 iterations. iteration 338: trace = 2.65386102717645 (1.29467e-07% change) linmin: converged after 8 iterations. iteration 339: trace = 2.653861025926883 (4.70849e-08% change) large trace change predicted (1.51178e-07%) linmin: converged after 2 iterations. iteration 340: trace = 2.653861021914834 (1.51178e-07% change) linmin: converged after 14 iterations. iteration 341: trace = 2.653861019539644 (8.94994e-08% change) linmin: converged after 12 iterations. iteration 342: trace = 2.653861017227884 (8.71093e-08% change) linmin: converged after 2 iterations. iteration 343: trace = 2.653861014792944 (9.17509e-08% change) linmin: converged after 4 iterations. iteration 344: trace = 2.653861012939216 (6.98502e-08% change) linmin: converged after 2 iterations. iteration 345: trace = 2.653861011871163 (4.02452e-08% change) large trace change predicted (8.28465e-08%) linmin: converged after 4 iterations. iteration 346: trace = 2.653861009672549 (8.28459e-08% change) linmin: converged after 13 iterations. iteration 347: trace = 2.653861009250864 (1.58895e-08% change) large trace change predicted (3.64056e-08%) linmin: converged after 2 iterations. iteration 348: trace = 2.653861008284711 (3.64055e-08% change) linmin: converged after 4 iterations. iteration 349: trace = 2.653861007028764 (4.73253e-08% change) resetting CG direction... linmin: converged after 23 iterations. iteration 350: trace = 2.653861006720918 (1.15999e-08% change) large trace change predicted (3.22228e-08%) linmin: converged after 4 iterations. iteration 351: trace = 2.65386100586577 (3.22228e-08% change) linmin: converged after 2 iterations. iteration 352: trace = 2.653861005144976 (2.71602e-08% change) linmin: converged after 3 iterations. iteration 353: trace = 2.653861004821524 (1.2188e-08% change) large trace change predicted (5.1411e-08%) linmin: converged after 3 iterations. iteration 354: trace = 2.65386100345714 (5.14113e-08% change) linmin: converged after 35 iterations. iteration 355: trace = 2.653861002885316 (2.15469e-08% change) large trace change predicted (5.05399e-08%) linmin: converged after 33 iterations. iteration 356: trace = 2.653861001544064 (5.05396e-08% change) linmin: converged after 16 iterations. iteration 357: trace = 2.653860999711104 (6.90677e-08% change) linmin: converged after 6 iterations. iteration 358: trace = 2.653860998862429 (3.19789e-08% change) linmin: converged after 3 iterations. iteration 359: trace = 2.653860997214579 (6.20925e-08% change) linmin: converged after 3 iterations. iteration 360: trace = 2.653860994928766 (8.61316e-08% change) linmin: converged after 12 iterations. iteration 361: trace = 2.653860994331569 (2.25029e-08% change) large trace change predicted (7.07351e-08%) linmin: converged after 8 iterations. iteration 362: trace = 2.653860992454358 (7.07351e-08% change) linmin: converged after 24 iterations. iteration 363: trace = 2.653860990770669 (6.3443e-08% change) linmin: converged after 7 iterations. iteration 364: trace = 2.653860990233887 (2.02265e-08% change) large trace change predicted (5.50961e-08%) linmin: converged after 27 iterations. iteration 365: trace = 2.653860988771721 (5.50958e-08% change) linmin: converged after 3 iterations. iteration 366: trace = 2.65386098775621 (3.82654e-08% change) linmin: converged after 2 iterations. iteration 367: trace = 2.653860987499351 (9.67869e-09% change) large trace change predicted (3.33236e-08%) linmin: converged after 3 iterations. iteration 368: trace = 2.653860986614989 (3.33236e-08% change) linmin: converged after 2 iterations. iteration 369: trace = 2.653860986362768 (9.50392e-09% change) large trace change predicted (2.1579e-08%) linmin: converged after 4 iterations. iteration 370: trace = 2.653860985790091 (2.1579e-08% change) linmin: converged after 4 iterations. iteration 371: trace = 2.653860985310549 (1.80696e-08% change) linmin: converged after 27 iterations. iteration 372: trace = 2.653860985141257 (6.37907e-09% change) large trace change predicted (2.31891e-08%) linmin: converged after 5 iterations. iteration 373: trace = 2.653860984525859 (2.31888e-08% change) linmin: converged after 3 iterations. iteration 374: trace = 2.653860983780115 (2.81003e-08% change) linmin: converged after 4 iterations. iteration 375: trace = 2.653860983492616 (1.08332e-08% change) large trace change predicted (3.39407e-08%) linmin: converged after 4 iterations. iteration 376: trace = 2.653860982591881 (3.39406e-08% change) linmin: converged after 3 iterations. iteration 377: trace = 2.653860981330415 (4.75332e-08% change) linmin: converged after 2 iterations. iteration 378: trace = 2.653860980715058 (2.31872e-08% change) large trace change predicted (9.41549e-08%) linmin: converged after 2 iterations. iteration 379: trace = 2.653860978216315 (9.4155e-08% change) linmin: converged after 2 iterations. iteration 380: trace = 2.653860976577834 (6.17395e-08% change) linmin: converged after 4 iterations. iteration 381: trace = 2.653860974696185 (7.09023e-08% change) linmin: converged after 4 iterations. iteration 382: trace = 2.653860974329824 (1.38048e-08% change) large trace change predicted (6.02632e-08%) linmin: converged after 19 iterations. iteration 383: trace = 2.653860972730513 (6.02636e-08% change) linmin: converged after 3 iterations. iteration 384: trace = 2.653860971851514 (3.31215e-08% change) linmin: converged after 4 iterations. iteration 385: trace = 2.653860971154216 (2.62748e-08% change) linmin: converged after 3 iterations. iteration 386: trace = 2.653860969996097 (4.3639e-08% change) linmin: converged after 18 iterations. iteration 387: trace = 2.653860969733293 (9.90272e-09% change) large trace change predicted (2.4431e-08%) linmin: converged after 4 iterations. iteration 388: trace = 2.653860969084925 (2.44311e-08% change) linmin: converged after 18 iterations. iteration 389: trace = 2.653860968649691 (1.64e-08% change) linmin: converged after 6 iterations. iteration 390: trace = 2.653860968470521 (6.7513e-09% change) large trace change predicted (1.79693e-08%) linmin: converged after 3 iterations. iteration 391: trace = 2.653860967993643 (1.79692e-08% change) linmin: converged after 15 iterations. iteration 392: trace = 2.653860967740077 (9.55461e-09% change) linmin: converged after 17 iterations. iteration 393: trace = 2.653860967603711 (5.13838e-09% change) large trace change predicted (1.24246e-08%) linmin: converged after 7 iterations. iteration 394: trace = 2.653860967273977 (1.24247e-08% change) linmin: converged after 4 iterations. iteration 395: trace = 2.653860966994029 (1.05487e-08% change) linmin: converged after 4 iterations. iteration 396: trace = 2.653860966757601 (8.90881e-09% change) large trace change predicted (2.51386e-08%) linmin: converged after 4 iterations. iteration 397: trace = 2.653860966090458 (2.51386e-08% change) linmin: converged after 2 iterations. iteration 398: trace = 2.653860965644725 (1.67957e-08% change) linmin: converged after 3 iterations. iteration 399: trace = 2.653860965417072 (8.57816e-09% change) large trace change predicted (2.89395e-08%) linmin: converged after 3 iterations. iteration 400: trace = 2.653860964649059 (2.89395e-08% change) linmin: converged after 3 iterations. iteration 401: trace = 2.653860964400753 (9.35642e-09% change) linmin: converged after 25 iterations. iteration 402: trace = 2.653860963931342 (1.76879e-08% change) linmin: converged after 4 iterations. iteration 403: trace = 2.653860963446188 (1.82811e-08% change) linmin: converged after 3 iterations. iteration 404: trace = 2.653860963267337 (6.73925e-09% change) large trace change predicted (1.57726e-08%) linmin: converged after 2 iterations. iteration 405: trace = 2.653860962848754 (1.57726e-08% change) linmin: converged after 4 iterations. iteration 406: trace = 2.653860962516561 (1.25173e-08% change) linmin: converged after 15 iterations. iteration 407: trace = 2.65386096230988 (7.78793e-09% change) linmin: converged after 5 iterations. iteration 408: trace = 2.653860962049158 (9.82422e-09% change) linmin: converged after 5 iterations. iteration 409: trace = 2.653860961943931 (3.96508e-09% change) linmin: converged after 5 iterations. iteration 410: trace = 2.653860961829907 (4.29651e-09% change) linmin: converged after 4 iterations. iteration 411: trace = 2.65386096170854 (4.57322e-09% change) linmin: converged after 3 iterations. iteration 412: trace = 2.653860961618741 (3.38371e-09% change) linmin: converged after 3 iterations. iteration 413: trace = 2.653860961594146 (9.26763e-10% change) large trace change predicted (3.56508e-09%) linmin: converged after 5 iterations. iteration 414: trace = 2.653860961499535 (3.56505e-09% change) linmin: converged after 11 iterations. iteration 415: trace = 2.653860961416906 (3.11354e-09% change) linmin: converged after 28 iterations. iteration 416: trace = 2.65386096137507 (1.57642e-09% change) linmin: converged after 4 iterations. iteration 417: trace = 2.653860961293697 (3.06623e-09% change) large trace change predicted (6.50569e-09%) linmin: converged after 18 iterations. iteration 418: trace = 2.653860961121046 (6.50565e-09% change) linmin: converged after 11 iterations. iteration 419: trace = 2.653860961046302 (2.81643e-09% change) resetting CG direction... linmin: converged after 11 iterations. iteration 420: trace = 2.653860960977268 (2.60124e-09% change) linmin: converged after 2 iterations. iteration 421: trace = 2.653860960845773 (4.95488e-09% change) linmin: converged after 10 iterations. iteration 422: trace = 2.653860960775587 (2.64466e-09% change) linmin: converged after 16 iterations. iteration 423: trace = 2.653860960738694 (1.39015e-09% change) linmin: converged after 6 iterations. iteration 424: trace = 2.653860960671545 (2.53024e-09% change) linmin: converged after 4 iterations. iteration 425: trace = 2.653860960645507 (9.81147e-10% change) large trace change predicted (2.19387e-09%) linmin: converged after 5 iterations. iteration 426: trace = 2.653860960587283 (2.19394e-09% change) linmin: converged after 2 iterations. iteration 427: trace = 2.653860960502895 (3.17981e-09% change) linmin: converged after 6 iterations. iteration 428: trace = 2.653860960476289 (1.00253e-09% change) large trace change predicted (2.54598e-09%) linmin: converged after 3 iterations. iteration 429: trace = 2.653860960408725 (2.5459e-09% change) linmin: converged after 2 iterations. iteration 430: trace = 2.653860960312482 (3.62653e-09% change) linmin: converged after 3 iterations. iteration 431: trace = 2.653860960266086 (1.74824e-09% change) large trace change predicted (5.54214e-09%) linmin: converged after 4 iterations. iteration 432: trace = 2.653860960119006 (5.54212e-09% change) linmin: converged after 5 iterations. iteration 433: trace = 2.653860959955113 (6.17566e-09% change) linmin: converged after 12 iterations. iteration 434: trace = 2.653860959898549 (2.13136e-09% change) large trace change predicted (8.07706e-09%) linmin: converged after 3 iterations. iteration 435: trace = 2.653860959684195 (8.07707e-09% change) linmin: converged after 5 iterations. iteration 436: trace = 2.653860959498799 (6.9859e-09% change) linmin: converged after 3 iterations. iteration 437: trace = 2.653860959423333 (2.84364e-09% change) large trace change predicted (6.08579e-09%) linmin: converged after 3 iterations. iteration 438: trace = 2.653860959261823 (6.08583e-09% change) linmin: converged after 4 iterations. iteration 439: trace = 2.653860959051983 (7.90699e-09% change) linmin: converged after 7 iterations. iteration 440: trace = 2.653860959000981 (1.9218e-09% change) large trace change predicted (5.68273e-09%) linmin: converged after 8 iterations. iteration 441: trace = 2.653860958850169 (5.68273e-09% change) linmin: converged after 2 iterations. iteration 442: trace = 2.653860958763387 (3.27003e-09% change) linmin: converged after 7 iterations. iteration 443: trace = 2.653860958704459 (2.22046e-09% change) linmin: converged after 3 iterations. iteration 444: trace = 2.653860958598273 (4.00118e-09% change) linmin: converged after 18 iterations. iteration 445: trace = 2.653860958582745 (5.85111e-10% change) large trace change predicted (2.51133e-09%) linmin: converged after 13 iterations. iteration 446: trace = 2.653860958516096 (2.51139e-09% change) linmin: converged after 9 iterations. iteration 447: trace = 2.653860958469783 (1.74511e-09% change) linmin: converged after 18 iterations. iteration 448: trace = 2.653860958455651 (5.32533e-10% change) large trace change predicted (2.61804e-09%) linmin: converged after 9 iterations. iteration 449: trace = 2.653860958386173 (2.61799e-09% change) linmin: converged after 4 iterations. iteration 450: trace = 2.653860958316292 (2.63318e-09% change) linmin: converged after 4 iterations. iteration 451: trace = 2.653860958244878 (2.69096e-09% change) linmin: converged after 4 iterations. iteration 452: trace = 2.653860958153299 (3.45077e-09% change) linmin: converged after 7 iterations. iteration 453: trace = 2.653860958120372 (1.2407e-09% change) large trace change predicted (3.92359e-09%) linmin: converged after 5 iterations. iteration 454: trace = 2.653860958016248 (3.92348e-09% change) linmin: converged after 11 iterations. iteration 455: trace = 2.653860957929595 (3.26518e-09% change) linmin: converged after 4 iterations. iteration 456: trace = 2.653860957878098 (1.94046e-09% change) linmin: converged after 2 iterations. iteration 457: trace = 2.653860957784703 (3.51921e-09% change) linmin: converged after 3 iterations. iteration 458: trace = 2.653860957753857 (1.16229e-09% change) large trace change predicted (3.00753e-09%) linmin: converged after 2 iterations. iteration 459: trace = 2.653860957674042 (3.00753e-09% change) linmin: converged after 12 iterations. iteration 460: trace = 2.653860957560972 (4.26057e-09% change) linmin: converged after 3 iterations. iteration 461: trace = 2.653860957546617 (5.40917e-10% change) large trace change predicted (2.07092e-09%) linmin: converged after 5 iterations. iteration 462: trace = 2.653860957491655 (2.07101e-09% change) linmin: converged after 7 iterations. iteration 463: trace = 2.653860957469109 (8.4957e-10% change) linmin: converged after 12 iterations. iteration 464: trace = 2.653860957449766 (7.28836e-10% change) linmin: converged after 15 iterations. iteration 465: trace = 2.653860957424178 (9.64213e-10% change) linmin: converged after 6 iterations. iteration 466: trace = 2.65386095740155 (8.52632e-10% change) linmin: converged after 3 iterations. iteration 467: trace = 2.653860957396691 (1.83083e-10% change) large trace change predicted (4.97544e-10%) linmin: converged after 4 iterations. iteration 468: trace = 2.653860957383483 (4.97694e-10% change) linmin: converged after 3 iterations. iteration 469: trace = 2.65386095737252 (4.13105e-10% change) linmin: converged after 13 iterations. iteration 470: trace = 2.653860957364455 (3.03901e-10% change) large trace change predicted (6.15435e-10%) linmin: converged after 15 iterations. iteration 471: trace = 2.653860957348123 (6.15399e-10% change) linmin: converged after 7 iterations. iteration 472: trace = 2.653860957343251 (1.83585e-10% change) large trace change predicted (8.32186e-10%) linmin: converged after 6 iterations. iteration 473: trace = 2.653860957321163 (8.32284e-10% change) linmin: converged after 4 iterations. iteration 474: trace = 2.653860957302249 (7.12688e-10% change) linmin: converged after 16 iterations. iteration 475: trace = 2.653860957288289 (5.26041e-10% change) linmin: converged after 5 iterations. iteration 476: trace = 2.653860957263793 (9.23014e-10% change) linmin: converged after 9 iterations. iteration 477: trace = 2.653860957240867 (8.63894e-10% change) linmin: converged after 16 iterations. iteration 478: trace = 2.65386095723148 (3.537e-10% change) large trace change predicted (1.20781e-09%) linmin: converged after 2 iterations. iteration 479: trace = 2.653860957199431 (1.20765e-09% change) linmin: converged after 6 iterations. iteration 480: trace = 2.65386095716908 (1.14363e-09% change) linmin: converged after 7 iterations. iteration 481: trace = 2.653860957151303 (6.69884e-10% change) linmin: converged after 4 iterations. iteration 482: trace = 2.653860957141798 (3.58151e-10% change) large trace change predicted (9.50608e-10%) linmin: converged after 3 iterations. iteration 483: trace = 2.653860957116571 (9.50558e-10% change) linmin: converged after 13 iterations. iteration 484: trace = 2.653860957099696 (6.35881e-10% change) linmin: converged after 13 iterations. iteration 485: trace = 2.653860957095266 (1.66935e-10% change) linmin: converged after 7 iterations. iteration 486: trace = 2.653860957086572 (3.27596e-10% change) linmin: converged after 18 iterations. iteration 487: trace = 2.653860957077379 (3.46371e-10% change) linmin: converged after 16 iterations. iteration 488: trace = 2.653860957074845 (9.54992e-11% change) Finished solving for bands 1 to 10 after 488 iterations. tmfreqs:, 7, 0.5, 0.5, 0, 0.707107, 0.215649, 0.353602, 0.365269, 0.480748, 0.507335, 0.512534, 0.60792, 0.619784, 0.648908, 0.650323 elapsed time for k point: 9.782859802246094 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. iteration 1: trace = 2.767191866960073 (3.67886% change) linmin: converged after 7 iterations. iteration 2: trace = 2.669057218272165 (3.61038% change) linmin: converged after 5 iterations. iteration 3: trace = 2.603626050144101 (2.48189% change) linmin: converged after 4 iterations. iteration 4: trace = 2.589397602919363 (0.547983% change) linmin: converged after 6 iterations. iteration 5: trace = 2.564425893383852 (0.969056% change) linmin: converged after 4 iterations. iteration 6: trace = 2.562271104339199 (0.0840615% change) large trace change predicted (0.183587%) linmin: converged after 4 iterations. iteration 7: trace = 2.55751953594622 (0.185616% change) linmin: converged after 4 iterations. iteration 8: trace = 2.55338121700423 (0.161941% change) linmin: converged after 4 iterations. iteration 9: trace = 2.551758203876525 (0.0635835% change) linmin: converged after 4 iterations. iteration 10: trace = 2.548676172812201 (0.120854% change) linmin: converged after 4 iterations. iteration 11: trace = 2.547042227742662 (0.0641301% change) linmin: converged after 6 iterations. iteration 12: trace = 2.545109412549749 (0.0759135% change) linmin: converged after 4 iterations. iteration 13: trace = 2.543744866636556 (0.0536288% change) linmin: converged after 4 iterations. iteration 14: trace = 2.543493565872817 (0.00987965% change) large trace change predicted (0.0326852%) linmin: converged after 4 iterations. iteration 15: trace = 2.54265485719426 (0.0329801% change) linmin: converged after 3 iterations. iteration 16: trace = 2.54223341223534 (0.0165764% change) linmin: converged after 3 iterations. iteration 17: trace = 2.541989469956957 (0.00959605% change) large trace change predicted (0.0296924%) linmin: converged after 4 iterations. iteration 18: trace = 2.541222848979411 (0.0301629% change) linmin: converged after 3 iterations. iteration 19: trace = 2.540916692280863 (0.0120483% change) linmin: converged after 3 iterations. iteration 20: trace = 2.540420081565767 (0.0195465% change) linmin: converged after 4 iterations. iteration 21: trace = 2.540069576728651 (0.0137981% change) linmin: converged after 4 iterations. iteration 22: trace = 2.539913099519367 (0.00616054% change) large trace change predicted (0.0132663%) linmin: converged after 3 iterations. iteration 23: trace = 2.539574161501758 (0.0133454% change) linmin: converged after 3 iterations. iteration 24: trace = 2.539320051656639 (0.0100065% change) linmin: converged after 4 iterations. iteration 25: trace = 2.539190067033013 (0.00511901% change) large trace change predicted (0.010915%) linmin: converged after 4 iterations. iteration 26: trace = 2.538912014330555 (0.010951% change) linmin: converged after 4 iterations. iteration 27: trace = 2.538826464122753 (0.00336962% change) large trace change predicted (0.00728287%) linmin: converged after 3 iterations. iteration 28: trace = 2.538640828873656 (0.00731212% change) linmin: converged after 4 iterations. iteration 29: trace = 2.538416021898666 (0.0088558% change) linmin: converged after 4 iterations. iteration 30: trace = 2.538329589810852 (0.00340502% change) large trace change predicted (0.0126403%) linmin: converged after 4 iterations. iteration 31: trace = 2.538007563488998 (0.0126873% change) linmin: converged after 3 iterations. iteration 32: trace = 2.537917160225144 (0.00356204% change) large trace change predicted (0.011858%) linmin: converged after 3 iterations. iteration 33: trace = 2.537615440518674 (0.0118892% change) linmin: converged after 3 iterations. iteration 34: trace = 2.537446552422311 (0.00665561% change) linmin: converged after 9 iterations. iteration 35: trace = 2.537337417276317 (0.00430108% change) large trace change predicted (0.0106115%) linmin: converged after 3 iterations. iteration 36: trace = 2.537067966411014 (0.01062% change) linmin: converged after 4 iterations. iteration 37: trace = 2.536999372791723 (0.00270369% change) large trace change predicted (0.0111003%) linmin: converged after 3 iterations. iteration 38: trace = 2.536717347142489 (0.0111171% change) linmin: converged after 4 iterations. iteration 39: trace = 2.53663368765624 (0.003298% change) linmin: converged after 3 iterations. iteration 40: trace = 2.536477779107407 (0.00614647% change) linmin: converged after 3 iterations. iteration 41: trace = 2.536329180767294 (0.00585862% change) linmin: converged after 3 iterations. iteration 42: trace = 2.536150163776472 (0.00705836% change) linmin: converged after 3 iterations. iteration 43: trace = 2.535989223084635 (0.00634607% change) linmin: converged after 3 iterations. iteration 44: trace = 2.535865677933803 (0.00487179% change) linmin: converged after 3 iterations. iteration 45: trace = 2.535703162261785 (0.00640889% change) linmin: converged after 3 iterations. iteration 46: trace = 2.535652198858459 (0.00200985% change) large trace change predicted (0.00754025%) linmin: converged after 3 iterations. iteration 47: trace = 2.535461051148843 (0.00753869% change) linmin: converged after 5 iterations. iteration 48: trace = 2.535421719252325 (0.00155128% change) large trace change predicted (0.00506173%) linmin: converged after 5 iterations. iteration 49: trace = 2.535293441497555 (0.00505955% change) linmin: converged after 4 iterations. iteration 50: trace = 2.535212789265398 (0.00318123% change) linmin: converged after 5 iterations. iteration 51: trace = 2.535125036241617 (0.00346143% change) linmin: converged after 4 iterations. iteration 52: trace = 2.534950872040607 (0.00687028% change) linmin: converged after 4 iterations. iteration 53: trace = 2.534873087026321 (0.00306855% change) large trace change predicted (0.00863844%) linmin: converged after 4 iterations. iteration 54: trace = 2.53465523723056 (0.00859448% change) linmin: converged after 4 iterations. iteration 55: trace = 2.534598351191275 (0.00224436% change) large trace change predicted (0.00574953%) linmin: converged after 4 iterations. iteration 56: trace = 2.534453123340468 (0.00572998% change) linmin: converged after 4 iterations. iteration 57: trace = 2.534390094549793 (0.00248691% change) linmin: converged after 4 iterations. iteration 58: trace = 2.534330740959423 (0.00234196% change) linmin: converged after 9 iterations. iteration 59: trace = 2.534233950356999 (0.00381925% change) linmin: converged after 3 iterations. iteration 60: trace = 2.53420766284705 (0.0010373% change) large trace change predicted (0.00309765%) linmin: converged after 3 iterations. iteration 61: trace = 2.534129204659101 (0.00309601% change) linmin: converged after 4 iterations. iteration 62: trace = 2.534095650665281 (0.00132409% change) large trace change predicted (0.00285522%) linmin: converged after 10 iterations. iteration 63: trace = 2.5340233616847 (0.00285269% change) linmin: converged after 5 iterations. iteration 64: trace = 2.533957973454301 (0.00258044% change) linmin: converged after 4 iterations. iteration 65: trace = 2.533883370293687 (0.00294418% change) linmin: converged after 4 iterations. iteration 66: trace = 2.53377257467885 (0.00437266% change) linmin: converged after 5 iterations. iteration 67: trace = 2.533730641043897 (0.001655% change) linmin: converged after 3 iterations. iteration 68: trace = 2.533659127587614 (0.0028225% change) linmin: converged after 3 iterations. iteration 69: trace = 2.533617349840739 (0.00164892% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.533588491349479 (0.00113903% change) linmin: converged after 4 iterations. iteration 71: trace = 2.533564634841129 (0.000941614% change) linmin: converged after 4 iterations. iteration 72: trace = 2.533539588795393 (0.000988574% change) linmin: converged after 3 iterations. iteration 73: trace = 2.533522874745801 (0.000659714% change) large trace change predicted (0.0018385%) linmin: converged after 3 iterations. iteration 74: trace = 2.533476215004805 (0.00184171% change) linmin: converged after 4 iterations. iteration 75: trace = 2.533464140665638 (0.000476593% change) large trace change predicted (0.00275237%) linmin: converged after 8 iterations. iteration 76: trace = 2.533394165631018 (0.00276207% change) linmin: converged after 3 iterations. iteration 77: trace = 2.533360174923095 (0.00134172% change) linmin: converged after 9 iterations. iteration 78: trace = 2.53333223834914 (0.00110275% change) large trace change predicted (0.00246266%) linmin: converged after 3 iterations. iteration 79: trace = 2.533269573684013 (0.00247364% change) linmin: converged after 4 iterations. iteration 80: trace = 2.533217594200375 (0.00205189% change) linmin: converged after 5 iterations. iteration 81: trace = 2.533191331888827 (0.00103672% change) large trace change predicted (0.00237279%) linmin: converged after 3 iterations. iteration 82: trace = 2.533130975049538 (0.00238267% change) linmin: converged after 3 iterations. iteration 83: trace = 2.533112984291994 (0.000710221% change) linmin: converged after 3 iterations. iteration 84: trace = 2.533088847218603 (0.000952867% change) linmin: converged after 3 iterations. iteration 85: trace = 2.533060189529164 (0.00113134% change) linmin: converged after 3 iterations. iteration 86: trace = 2.533052313890672 (0.000310914% change) large trace change predicted (0.000754895%) linmin: converged after 3 iterations. iteration 87: trace = 2.533033181532275 (0.000755311% change) linmin: converged after 3 iterations. iteration 88: trace = 2.533014406057882 (0.000741228% change) linmin: converged after 5 iterations. iteration 89: trace = 2.53300137042251 (0.000514631% change) linmin: converged after 3 iterations. iteration 90: trace = 2.532976209709539 (0.000993321% change) linmin: converged after 4 iterations. iteration 91: trace = 2.532972358846642 (0.000152029% change) large trace change predicted (0.000749651%) linmin: converged after 16 iterations. iteration 92: trace = 2.532953384233433 (0.000749107% change) linmin: converged after 5 iterations. iteration 93: trace = 2.53293492522115 (0.000728757% change) linmin: converged after 5 iterations. iteration 94: trace = 2.532926897733093 (0.000316925% change) large trace change predicted (0.00178249%) linmin: converged after 5 iterations. iteration 95: trace = 2.532881928412175 (0.00177541% change) linmin: converged after 4 iterations. iteration 96: trace = 2.532858318202467 (0.000932152% change) linmin: converged after 4 iterations. iteration 97: trace = 2.532819800891143 (0.00152072% change) linmin: converged after 5 iterations. iteration 98: trace = 2.532786190862618 (0.00132699% change) linmin: converged after 8 iterations. iteration 99: trace = 2.532774300786254 (0.000469448% change) large trace change predicted (0.00101697%) linmin: converged after 4 iterations. iteration 100: trace = 2.53274858814757 (0.0010152% change) linmin: converged after 7 iterations. iteration 101: trace = 2.53273558314226 (0.000513475% change) linmin: converged after 12 iterations. iteration 102: trace = 2.532725946496065 (0.000380484% change) linmin: converged after 4 iterations. iteration 103: trace = 2.532712940187799 (0.000513531% change) linmin: converged after 4 iterations. iteration 104: trace = 2.532704606084377 (0.000329059% change) linmin: converged after 6 iterations. iteration 105: trace = 2.532697423650102 (0.000283588% change) large trace change predicted (0.000634038%) linmin: converged after 4 iterations. iteration 106: trace = 2.532681372928586 (0.000633742% change) linmin: converged after 3 iterations. iteration 107: trace = 2.532678248718004 (0.000123356% change) large trace change predicted (0.00036594%) linmin: converged after 3 iterations. iteration 108: trace = 2.532668982428018 (0.00036587% change) linmin: converged after 4 iterations. iteration 109: trace = 2.532662589801285 (0.000252407% change) linmin: converged after 3 iterations. iteration 110: trace = 2.532659599666482 (0.000118063% change) large trace change predicted (0.000484605%) linmin: converged after 3 iterations. iteration 111: trace = 2.532647322428674 (0.000484758% change) linmin: converged after 6 iterations. iteration 112: trace = 2.532643044191019 (0.000168924% change) large trace change predicted (0.00119225%) linmin: converged after 4 iterations. iteration 113: trace = 2.532612830504809 (0.00119298% change) linmin: converged after 3 iterations. iteration 114: trace = 2.532592063482912 (0.000819987% change) linmin: converged after 3 iterations. iteration 115: trace = 2.532581457265329 (0.00041879% change) large trace change predicted (0.00102431%) linmin: converged after 3 iterations. iteration 116: trace = 2.532555485770706 (0.0010255% change) linmin: converged after 4 iterations. iteration 117: trace = 2.532535091553554 (0.000805285% change) linmin: converged after 3 iterations. iteration 118: trace = 2.532524454691618 (0.000420009% change) linmin: converged after 3 iterations. iteration 119: trace = 2.532503177309421 (0.000840168% change) linmin: converged after 3 iterations. iteration 120: trace = 2.532499366957107 (0.000150458% change) large trace change predicted (0.000429141%) linmin: converged after 3 iterations. iteration 121: trace = 2.532488496831858 (0.000429226% change) linmin: converged after 3 iterations. iteration 122: trace = 2.53248208726727 (0.000253094% change) linmin: converged after 3 iterations. iteration 123: trace = 2.532479982243122 (8.3121e-05% change) large trace change predicted (0.000283878%) linmin: converged after 4 iterations. iteration 124: trace = 2.532472789483318 (0.000284021% change) linmin: converged after 3 iterations. iteration 125: trace = 2.532467475694995 (0.000209826% change) linmin: converged after 3 iterations. iteration 126: trace = 2.53246563838584 (7.25502e-05% change) large trace change predicted (0.000445549%) linmin: converged after 5 iterations. iteration 127: trace = 2.532454337468295 (0.000446243% change) linmin: converged after 3 iterations. iteration 128: trace = 2.53245222559227 (8.33925e-05% change) large trace change predicted (0.000326371%) linmin: converged after 3 iterations. iteration 129: trace = 2.532443954465802 (0.000326606% change) linmin: converged after 4 iterations. iteration 130: trace = 2.532434314598275 (0.000380655% change) linmin: converged after 3 iterations. iteration 131: trace = 2.532431682016879 (0.000103955% change) large trace change predicted (0.000506922%) linmin: converged after 4 iterations. iteration 132: trace = 2.532418827175153 (0.00050761% change) linmin: converged after 3 iterations. iteration 133: trace = 2.532413394608684 (0.000214521% change) large trace change predicted (0.000485322%) linmin: converged after 3 iterations. iteration 134: trace = 2.532401099406987 (0.000485514% change) linmin: converged after 3 iterations. iteration 135: trace = 2.532386154427787 (0.000590152% change) linmin: converged after 4 iterations. iteration 136: trace = 2.532381534710445 (0.000182426% change) linmin: converged after 5 iterations. iteration 137: trace = 2.532372864720407 (0.000342366% change) linmin: converged after 5 iterations. iteration 138: trace = 2.532367984978416 (0.000192695% change) linmin: converged after 3 iterations. iteration 139: trace = 2.532366685276815 (5.13236e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.532365675570594 (3.9872e-05% change) linmin: converged after 4 iterations. iteration 141: trace = 2.532363835702445 (7.26542e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.532361025430132 (0.000110974% change) linmin: converged after 4 iterations. iteration 143: trace = 2.532359819633742 (4.76155e-05% change) large trace change predicted (0.000180834%) linmin: converged after 3 iterations. iteration 144: trace = 2.532355240812416 (0.000180813% change) linmin: converged after 3 iterations. iteration 145: trace = 2.532352416439251 (0.000111532% change) linmin: converged after 3 iterations. iteration 146: trace = 2.532349380428446 (0.000119889% change) linmin: converged after 3 iterations. iteration 147: trace = 2.532343673770668 (0.000225351% change) linmin: converged after 3 iterations. iteration 148: trace = 2.532342301799421 (5.41779e-05% change) large trace change predicted (0.00021143%) linmin: converged after 5 iterations. iteration 149: trace = 2.532336949425668 (0.000211361% change) linmin: converged after 3 iterations. iteration 150: trace = 2.532333393657835 (0.000140415% change) linmin: converged after 3 iterations. iteration 151: trace = 2.53233205891631 (5.2708e-05% change) large trace change predicted (0.000151547%) linmin: converged after 3 iterations. iteration 152: trace = 2.53232822367756 (0.000151451% change) linmin: converged after 3 iterations. iteration 153: trace = 2.532325501561692 (0.000107495% change) linmin: converged after 3 iterations. iteration 154: trace = 2.532323597501972 (7.51902e-05% change) linmin: converged after 4 iterations. iteration 155: trace = 2.532320456448519 (0.000124038% change) linmin: converged after 8 iterations. iteration 156: trace = 2.53231967568064 (3.08321e-05% change) linmin: converged after 3 iterations. iteration 157: trace = 2.532318507464514 (4.61323e-05% change) linmin: converged after 3 iterations. iteration 158: trace = 2.532316948480697 (6.15635e-05% change) linmin: converged after 4 iterations. iteration 159: trace = 2.53231655271383 (1.56286e-05% change) large trace change predicted (5.23613e-05%) linmin: converged after 3 iterations. iteration 160: trace = 2.532315226661594 (5.23652e-05% change) linmin: converged after 5 iterations. iteration 161: trace = 2.532314308266037 (3.6267e-05% change) linmin: converged after 4 iterations. iteration 162: trace = 2.532313516899074 (3.12507e-05% change) large trace change predicted (8.51955e-05%) linmin: converged after 4 iterations. iteration 163: trace = 2.532311359579951 (8.51917e-05% change) linmin: converged after 3 iterations. iteration 164: trace = 2.53230989130842 (5.79815e-05% change) linmin: converged after 3 iterations. iteration 165: trace = 2.532308441514089 (5.72519e-05% change) large trace change predicted (0.000170462%) linmin: converged after 4 iterations. iteration 166: trace = 2.532304124126523 (0.000170492% change) linmin: converged after 4 iterations. iteration 167: trace = 2.532303095614483 (4.06157e-05% change) large trace change predicted (0.000115087%) linmin: converged after 3 iterations. iteration 168: trace = 2.532300180746069 (0.000115107% change) linmin: converged after 3 iterations. iteration 169: trace = 2.532297894862233 (9.02691e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 2.532297157104385 (2.91339e-05% change) large trace change predicted (6.51425e-05%) linmin: converged after 4 iterations. iteration 171: trace = 2.532295507845478 (6.5129e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.532292972621596 (0.000100116% change) linmin: converged after 3 iterations. iteration 173: trace = 2.532292307806105 (2.62535e-05% change) large trace change predicted (8.53486e-05%) linmin: converged after 3 iterations. iteration 174: trace = 2.532290146225002 (8.53607e-05% change) linmin: converged after 5 iterations. iteration 175: trace = 2.532289379234436 (3.02884e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.532288395195007 (3.88597e-05% change) linmin: converged after 4 iterations. iteration 177: trace = 2.532287631001012 (3.0178e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 2.532287353370971 (1.09636e-05% change) large trace change predicted (4.06173e-05%) linmin: converged after 4 iterations. iteration 179: trace = 2.532286324654228 (4.0624e-05% change) linmin: converged after 4 iterations. iteration 180: trace = 2.532285363183203 (3.79685e-05% change) linmin: converged after 5 iterations. iteration 181: trace = 2.532284513334921 (3.35605e-05% change) large trace change predicted (0.000115882%) linmin: converged after 3 iterations. iteration 182: trace = 2.532281575990879 (0.000115996% change) linmin: converged after 3 iterations. iteration 183: trace = 2.532280693203743 (3.48613e-05% change) large trace change predicted (0.000114239%) linmin: converged after 4 iterations. iteration 184: trace = 2.532277796871742 (0.000114376% change) linmin: converged after 3 iterations. iteration 185: trace = 2.53227480932703 (0.000117979% change) linmin: converged after 3 iterations. iteration 186: trace = 2.532273810344101 (3.945e-05% change) large trace change predicted (9.04224e-05%) linmin: converged after 4 iterations. iteration 187: trace = 2.532271518476984 (9.05063e-05% change) linmin: converged after 5 iterations. iteration 188: trace = 2.532268653496294 (0.000113139% change) linmin: converged after 9 iterations. iteration 189: trace = 2.53226815187108 (1.98093e-05% change) large trace change predicted (0.000108326%) linmin: converged after 4 iterations. iteration 190: trace = 2.532265408133602 (0.000108351% change) linmin: converged after 3 iterations. iteration 191: trace = 2.532264731042383 (2.67386e-05% change) linmin: converged after 4 iterations. iteration 192: trace = 2.53226342529624 (5.15644e-05% change) linmin: converged after 4 iterations. iteration 193: trace = 2.532262433077374 (3.91831e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.532262083909624 (1.37888e-05% change) large trace change predicted (4.57841e-05%) linmin: converged after 3 iterations. iteration 195: trace = 2.532260924723237 (4.57767e-05% change) linmin: converged after 3 iterations. iteration 196: trace = 2.532259716260445 (4.77227e-05% change) linmin: converged after 3 iterations. iteration 197: trace = 2.532259089147253 (2.4765e-05% change) large trace change predicted (5.50857e-05%) linmin: converged after 5 iterations. iteration 198: trace = 2.532257694963238 (5.50569e-05% change) linmin: converged after 4 iterations. iteration 199: trace = 2.532257160121118 (2.11212e-05% change) large trace change predicted (4.23829e-05%) linmin: converged after 4 iterations. iteration 200: trace = 2.53225608792328 (4.23416e-05% change) linmin: converged after 3 iterations. iteration 201: trace = 2.532254483734028 (6.33502e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.532253971642677 (2.02227e-05% change) large trace change predicted (7.65533e-05%) linmin: converged after 5 iterations. iteration 203: trace = 2.532252034678756 (7.64917e-05% change) linmin: converged after 7 iterations. iteration 204: trace = 2.532250503946788 (6.04495e-05% change) linmin: converged after 4 iterations. iteration 205: trace = 2.532249020215239 (5.85934e-05% change) linmin: converged after 5 iterations. iteration 206: trace = 2.532247440258196 (6.23935e-05% change) linmin: converged after 4 iterations. iteration 207: trace = 2.532246929160602 (2.01836e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.532246408503967 (2.05611e-05% change) large trace change predicted (4.53714e-05%) linmin: converged after 5 iterations. iteration 209: trace = 2.532245259893332 (4.53594e-05% change) resetting CG direction... linmin: converged after 6 iterations. iteration 210: trace = 2.532245094873699 (6.51673e-06% change) large trace change predicted (1.83617e-05%) linmin: converged after 3 iterations. iteration 211: trace = 2.532244629922892 (1.83612e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.532244432167171 (7.8095e-06% change) large trace change predicted (1.87093e-05%) linmin: converged after 5 iterations. iteration 213: trace = 2.532243958421935 (1.87085e-05% change) linmin: converged after 3 iterations. iteration 214: trace = 2.532243388427899 (2.25094e-05% change) linmin: converged after 3 iterations. iteration 215: trace = 2.532243098746259 (1.14397e-05% change) large trace change predicted (2.74059e-05%) linmin: converged after 3 iterations. iteration 216: trace = 2.532242404358473 (2.74218e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 2.532241508099176 (3.53939e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.5322412836781 (8.86255e-06% change) large trace change predicted (3.34348e-05%) linmin: converged after 5 iterations. iteration 219: trace = 2.532240436696089 (3.34479e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.532239981462464 (1.79775e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.532239614921082 (1.4475e-05% change) linmin: converged after 3 iterations. iteration 222: trace = 2.532238903909617 (2.80784e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 2.532238442122467 (1.82363e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.532238111201956 (1.30683e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.532237523046741 (2.32267e-05% change) linmin: converged after 4 iterations. iteration 226: trace = 2.532237438724216 (3.32996e-06% change) large trace change predicted (1.27651e-05%) linmin: converged after 4 iterations. iteration 227: trace = 2.532237115467547 (1.27657e-05% change) linmin: converged after 23 iterations. iteration 228: trace = 2.532236965266923 (5.93154e-06% change) linmin: converged after 3 iterations. iteration 229: trace = 2.532236837618115 (5.04095e-06% change) large trace change predicted (1.47478e-05%) linmin: converged after 7 iterations. iteration 230: trace = 2.532236464196444 (1.47467e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.532236341602163 (4.84134e-06% change) large trace change predicted (1.2969e-05%) linmin: converged after 5 iterations. iteration 232: trace = 2.532236013236679 (1.29674e-05% change) linmin: converged after 3 iterations. iteration 233: trace = 2.532235585744171 (1.6882e-05% change) linmin: converged after 8 iterations. iteration 234: trace = 2.532235453890311 (5.20701e-06% change) large trace change predicted (1.52498e-05%) linmin: converged after 5 iterations. iteration 235: trace = 2.532235067832816 (1.52457e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.532234469977316 (2.36098e-05% change) linmin: converged after 5 iterations. iteration 237: trace = 2.532234286766843 (7.23513e-06% change) large trace change predicted (1.89245e-05%) linmin: converged after 3 iterations. iteration 238: trace = 2.532233807770969 (1.89159e-05% change) linmin: converged after 4 iterations. iteration 239: trace = 2.532233602380101 (8.11106e-06% change) linmin: converged after 4 iterations. iteration 240: trace = 2.532233534309943 (2.68815e-06% change) large trace change predicted (8.08663e-06%) linmin: converged after 5 iterations. iteration 241: trace = 2.532233329569769 (8.08536e-06% change) linmin: converged after 4 iterations. iteration 242: trace = 2.532233257375882 (2.851e-06% change) linmin: converged after 3 iterations. iteration 243: trace = 2.53223314873675 (4.29025e-06% change) linmin: converged after 7 iterations. iteration 244: trace = 2.532232990013753 (6.2681e-06% change) linmin: converged after 4 iterations. iteration 245: trace = 2.532232955639127 (1.35748e-06% change) large trace change predicted (6.08068e-06%) linmin: converged after 4 iterations. iteration 246: trace = 2.532232801662714 (6.08066e-06% change) linmin: converged after 4 iterations. iteration 247: trace = 2.532232650826495 (5.95665e-06% change) linmin: converged after 4 iterations. iteration 248: trace = 2.532232608573483 (1.66861e-06% change) large trace change predicted (4.86016e-06%) linmin: converged after 7 iterations. iteration 249: trace = 2.532232485510872 (4.85985e-06% change) linmin: converged after 2 iterations. iteration 250: trace = 2.532232381555963 (4.10527e-06% change) linmin: converged after 5 iterations. iteration 251: trace = 2.532232311652316 (2.76055e-06% change) large trace change predicted (1.14601e-05%) linmin: converged after 3 iterations. iteration 252: trace = 2.532232021465256 (1.14597e-05% change) linmin: converged after 4 iterations. iteration 253: trace = 2.532231871968333 (5.90376e-06% change) linmin: converged after 6 iterations. iteration 254: trace = 2.532231638859315 (9.20567e-06% change) linmin: converged after 6 iterations. iteration 255: trace = 2.532231429359209 (8.27334e-06% change) linmin: converged after 3 iterations. iteration 256: trace = 2.532231351528381 (3.07361e-06% change) linmin: converged after 5 iterations. iteration 257: trace = 2.532231200365386 (5.96956e-06% change) linmin: converged after 6 iterations. iteration 258: trace = 2.532231090798442 (4.32689e-06% change) linmin: converged after 20 iterations. iteration 259: trace = 2.532231024520342 (2.61738e-06% change) linmin: converged after 2 iterations. iteration 260: trace = 2.532230927636564 (3.82602e-06% change) linmin: converged after 6 iterations. iteration 261: trace = 2.532230866755216 (2.40426e-06% change) linmin: converged after 4 iterations. iteration 262: trace = 2.532230842900781 (9.42032e-07% change) large trace change predicted (3.08585e-06%) linmin: converged after 14 iterations. iteration 263: trace = 2.532230764755396 (3.08603e-06% change) linmin: converged after 5 iterations. iteration 264: trace = 2.532230705434377 (2.34264e-06% change) linmin: converged after 8 iterations. iteration 265: trace = 2.532230656999642 (1.91273e-06% change) large trace change predicted (5.77479e-06%) linmin: converged after 4 iterations. iteration 266: trace = 2.532230510752944 (5.77541e-06% change) linmin: converged after 4 iterations. iteration 267: trace = 2.532230473480086 (1.47194e-06% change) large trace change predicted (7.19708e-06%) linmin: converged after 3 iterations. iteration 268: trace = 2.532230291208633 (7.19806e-06% change) linmin: converged after 2 iterations. iteration 269: trace = 2.532230201745127 (3.53299e-06% change) linmin: converged after 19 iterations. iteration 270: trace = 2.532230152694496 (1.93705e-06% change) large trace change predicted (5.63983e-06%) linmin: converged after 9 iterations. iteration 271: trace = 2.532230009874278 (5.6401e-06% change) linmin: converged after 2 iterations. iteration 272: trace = 2.5322299239178 (3.3945e-06% change) linmin: converged after 4 iterations. iteration 273: trace = 2.532229783566319 (5.5426e-06% change) linmin: converged after 4 iterations. iteration 274: trace = 2.532229656169169 (5.03103e-06% change) linmin: converged after 4 iterations. iteration 275: trace = 2.532229624634436 (1.24533e-06% change) large trace change predicted (4.20768e-06%) linmin: converged after 5 iterations. iteration 276: trace = 2.532229518082477 (4.20783e-06% change) linmin: converged after 4 iterations. iteration 277: trace = 2.53222945987625 (2.29862e-06% change) linmin: converged after 5 iterations. iteration 278: trace = 2.53222944225142 (6.9602e-07% change) large trace change predicted (2.51886e-06%) linmin: converged after 5 iterations. iteration 279: trace = 2.532229378468775 (2.51883e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.532229340132902 (1.51392e-06% change) linmin: converged after 20 iterations. iteration 281: trace = 2.532229323984395 (6.37719e-07% change) large trace change predicted (1.90177e-06%) linmin: converged after 19 iterations. iteration 282: trace = 2.532229275825387 (1.90184e-06% change) linmin: converged after 2 iterations. iteration 283: trace = 2.532229223311159 (2.07383e-06% change) linmin: converged after 3 iterations. iteration 284: trace = 2.53222919656408 (1.05627e-06% change) large trace change predicted (3.41625e-06%) linmin: converged after 2 iterations. iteration 285: trace = 2.532229110054226 (3.41635e-06% change) linmin: converged after 5 iterations. iteration 286: trace = 2.532229089307113 (8.19322e-07% change) large trace change predicted (3.2895e-06%) linmin: converged after 4 iterations. iteration 287: trace = 2.532229006010215 (3.28947e-06% change) linmin: converged after 5 iterations. iteration 288: trace = 2.532228899980597 (4.18721e-06% change) linmin: converged after 4 iterations. iteration 289: trace = 2.532228877361952 (8.93231e-07% change) large trace change predicted (2.5561e-06%) linmin: converged after 2 iterations. iteration 290: trace = 2.532228812635324 (2.55611e-06% change) linmin: converged after 2 iterations. iteration 291: trace = 2.532228752739865 (2.36533e-06% change) linmin: converged after 2 iterations. iteration 292: trace = 2.53222872770112 (9.88803e-07% change) large trace change predicted (2.9134e-06%) linmin: converged after 4 iterations. iteration 293: trace = 2.532228653933901 (2.91313e-06% change) linmin: converged after 6 iterations. iteration 294: trace = 2.532228630512556 (9.2493e-07% change) large trace change predicted (2.14653e-06%) linmin: converged after 3 iterations. iteration 295: trace = 2.532228576162357 (2.14634e-06% change) linmin: converged after 10 iterations. iteration 296: trace = 2.532228546765729 (1.1609e-06% change) linmin: converged after 3 iterations. iteration 297: trace = 2.53222853519367 (4.56991e-07% change) large trace change predicted (9.5873e-07%) linmin: converged after 4 iterations. iteration 298: trace = 2.532228510916371 (9.58733e-07% change) linmin: converged after 7 iterations. iteration 299: trace = 2.532228477729552 (1.31058e-06% change) linmin: converged after 3 iterations. iteration 300: trace = 2.532228469342173 (3.31225e-07% change) large trace change predicted (1.7953e-06%) linmin: converged after 3 iterations. iteration 301: trace = 2.532228423884455 (1.79517e-06% change) linmin: converged after 4 iterations. iteration 302: trace = 2.532228386890488 (1.46093e-06% change) linmin: converged after 20 iterations. iteration 303: trace = 2.532228359566721 (1.07904e-06% change) large trace change predicted (2.54929e-06%) linmin: converged after 6 iterations. iteration 304: trace = 2.532228295017234 (2.54912e-06% change) linmin: converged after 4 iterations. iteration 305: trace = 2.532228243395797 (2.03858e-06% change) linmin: converged after 2 iterations. iteration 306: trace = 2.532228207144684 (1.43159e-06% change) linmin: converged after 3 iterations. iteration 307: trace = 2.532228136982043 (2.77079e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.532228100348475 (1.44669e-06% change) linmin: converged after 30 iterations. iteration 309: trace = 2.532228085905266 (5.70376e-07% change) linmin: converged after 2 iterations. iteration 310: trace = 2.532228060828675 (9.90297e-07% change) linmin: converged after 4 iterations. iteration 311: trace = 2.532228045427556 (6.08204e-07% change) linmin: converged after 8 iterations. iteration 312: trace = 2.532228023475657 (8.66901e-07% change) linmin: converged after 2 iterations. iteration 313: trace = 2.532227986438435 (1.46263e-06% change) linmin: converged after 16 iterations. iteration 314: trace = 2.53222797686973 (3.77877e-07% change) large trace change predicted (1.69649e-06%) linmin: converged after 3 iterations. iteration 315: trace = 2.532227933909484 (1.69654e-06% change) linmin: converged after 2 iterations. iteration 316: trace = 2.53222791223329 (8.56013e-07% change) linmin: converged after 7 iterations. iteration 317: trace = 2.532227889751161 (8.8784e-07% change) linmin: converged after 3 iterations. iteration 318: trace = 2.53222784992832 (1.57264e-06% change) linmin: converged after 9 iterations. iteration 319: trace = 2.532227831468421 (7.28998e-07% change) linmin: converged after 18 iterations. iteration 320: trace = 2.532227794577686 (1.45685e-06% change) linmin: converged after 4 iterations. iteration 321: trace = 2.532227724890605 (2.75201e-06% change) linmin: converged after 8 iterations. iteration 322: trace = 2.53222770613658 (7.40614e-07% change) large trace change predicted (2.58324e-06%) linmin: converged after 5 iterations. iteration 323: trace = 2.532227640712586 (2.58365e-06% change) linmin: converged after 4 iterations. iteration 324: trace = 2.532227584141908 (2.23403e-06% change) linmin: converged after 8 iterations. iteration 325: trace = 2.532227566858707 (6.8253e-07% change) linmin: converged after 6 iterations. iteration 326: trace = 2.532227544873578 (8.68213e-07% change) linmin: converged after 5 iterations. iteration 327: trace = 2.532227511420935 (1.32108e-06% change) linmin: converged after 4 iterations. iteration 328: trace = 2.532227505561681 (2.31387e-07% change) large trace change predicted (1.09186e-06%) linmin: converged after 4 iterations. iteration 329: trace = 2.532227477913448 (1.09185e-06% change) linmin: converged after 4 iterations. iteration 330: trace = 2.532227453363652 (9.69494e-07% change) linmin: converged after 5 iterations. iteration 331: trace = 2.532227441160449 (4.81916e-07% change) linmin: converged after 4 iterations. iteration 332: trace = 2.532227419336419 (8.61851e-07% change) linmin: converged after 7 iterations. iteration 333: trace = 2.532227405912242 (5.30133e-07% change) large trace change predicted (1.20909e-06%) linmin: converged after 4 iterations. iteration 334: trace = 2.532227375296094 (1.20906e-06% change) large trace change predicted (2.70177e-06%) linmin: converged after 9 iterations. iteration 335: trace = 2.53222730689432 (2.70125e-06% change) linmin: converged after 5 iterations. iteration 336: trace = 2.532227268755362 (1.50614e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.532227242410301 (1.04039e-06% change) linmin: converged after 4 iterations. iteration 338: trace = 2.532227213580764 (1.13851e-06% change) linmin: converged after 25 iterations. iteration 339: trace = 2.532227195301985 (7.21846e-07% change) linmin: converged after 16 iterations. iteration 340: trace = 2.532227171783754 (9.28757e-07% change) linmin: converged after 6 iterations. iteration 341: trace = 2.532227139380402 (1.27964e-06% change) linmin: converged after 4 iterations. iteration 342: trace = 2.532227132219762 (2.8278e-07% change) large trace change predicted (8.90237e-07%) linmin: converged after 4 iterations. iteration 343: trace = 2.532227109677951 (8.90197e-07% change) linmin: converged after 4 iterations. iteration 344: trace = 2.532227089639271 (7.91346e-07% change) linmin: converged after 3 iterations. iteration 345: trace = 2.532227085845913 (1.49803e-07% change) large trace change predicted (4.6785e-07%) linmin: converged after 4 iterations. iteration 346: trace = 2.53222707399915 (4.6784e-07% change) linmin: converged after 16 iterations. iteration 347: trace = 2.532227067477958 (2.57528e-07% change) linmin: converged after 4 iterations. iteration 348: trace = 2.532227062065251 (2.13753e-07% change) large trace change predicted (1.35944e-06%) linmin: converged after 15 iterations. iteration 349: trace = 2.532227027640141 (1.35948e-06% change) resetting CG direction... linmin: converged after 8 iterations. iteration 350: trace = 2.532227017949774 (3.82682e-07% change) linmin: converged after 5 iterations. iteration 351: trace = 2.532227001314875 (6.56928e-07% change) linmin: converged after 3 iterations. iteration 352: trace = 2.532226994678759 (2.62066e-07% change) linmin: converged after 12 iterations. iteration 353: trace = 2.53222698935712 (2.10156e-07% change) linmin: converged after 10 iterations. iteration 354: trace = 2.532226981002672 (3.29925e-07% change) linmin: converged after 3 iterations. iteration 355: trace = 2.53222697525556 (2.26959e-07% change) linmin: converged after 4 iterations. iteration 356: trace = 2.532226965415378 (3.88598e-07% change) linmin: converged after 5 iterations. iteration 357: trace = 2.532226950877174 (5.74127e-07% change) linmin: converged after 6 iterations. iteration 358: trace = 2.532226946235899 (1.83288e-07% change) large trace change predicted (5.91985e-07%) linmin: converged after 4 iterations. iteration 359: trace = 2.532226931244981 (5.92005e-07% change) linmin: converged after 5 iterations. iteration 360: trace = 2.53222691484621 (6.47603e-07% change) linmin: converged after 4 iterations. iteration 361: trace = 2.532226910384659 (1.76191e-07% change) large trace change predicted (5.18241e-07%) linmin: converged after 4 iterations. iteration 362: trace = 2.532226897261341 (5.18252e-07% change) linmin: converged after 3 iterations. iteration 363: trace = 2.532226880058966 (6.79338e-07% change) linmin: converged after 13 iterations. iteration 364: trace = 2.532226872951519 (2.8068e-07% change) large trace change predicted (7.56053e-07%) linmin: converged after 2 iterations. iteration 365: trace = 2.532226853805563 (7.56092e-07% change) linmin: converged after 7 iterations. iteration 366: trace = 2.532226848503605 (2.09379e-07% change) linmin: converged after 8 iterations. iteration 367: trace = 2.532226841223306 (2.87506e-07% change) linmin: converged after 4 iterations. iteration 368: trace = 2.532226833826044 (2.92125e-07% change) linmin: converged after 7 iterations. iteration 369: trace = 2.532226830743733 (1.21723e-07% change) large trace change predicted (2.76125e-07%) linmin: converged after 4 iterations. iteration 370: trace = 2.532226823751496 (2.7613e-07% change) linmin: converged after 9 iterations. iteration 371: trace = 2.532226818445816 (2.09526e-07% change) linmin: converged after 6 iterations. iteration 372: trace = 2.532226814841919 (1.42321e-07% change) linmin: converged after 4 iterations. iteration 373: trace = 2.532226808463359 (2.51895e-07% change) linmin: converged after 3 iterations. iteration 374: trace = 2.532226806618147 (7.28692e-08% change) large trace change predicted (1.77409e-07%) linmin: converged after 4 iterations. iteration 375: trace = 2.532226802125781 (1.77408e-07% change) large trace change predicted (4.36509e-07%) linmin: converged after 5 iterations. iteration 376: trace = 2.532226791073145 (4.36479e-07% change) linmin: converged after 5 iterations. iteration 377: trace = 2.532226783750615 (2.89174e-07% change) linmin: converged after 7 iterations. iteration 378: trace = 2.532226779827476 (1.54928e-07% change) large trace change predicted (3.90625e-07%) linmin: converged after 8 iterations. iteration 379: trace = 2.532226769936744 (3.90594e-07% change) linmin: converged after 16 iterations. iteration 380: trace = 2.532226766157356 (1.49252e-07% change) linmin: converged after 8 iterations. iteration 381: trace = 2.532226761539757 (1.82353e-07% change) linmin: converged after 8 iterations. iteration 382: trace = 2.532226755968165 (2.20027e-07% change) linmin: converged after 7 iterations. iteration 383: trace = 2.532226754154962 (7.16051e-08% change) large trace change predicted (1.68535e-07%) linmin: converged after 5 iterations. iteration 384: trace = 2.532226749887375 (1.68531e-07% change) linmin: converged after 13 iterations. iteration 385: trace = 2.532226745061184 (1.90591e-07% change) linmin: converged after 9 iterations. iteration 386: trace = 2.532226743712287 (5.32692e-08% change) large trace change predicted (1.62692e-07%) linmin: converged after 4 iterations. iteration 387: trace = 2.532226739592568 (1.62692e-07% change) linmin: converged after 3 iterations. iteration 388: trace = 2.532226738305402 (5.08314e-08% change) linmin: converged after 22 iterations. iteration 389: trace = 2.532226735837325 (9.74667e-08% change) linmin: converged after 14 iterations. iteration 390: trace = 2.532226733008736 (1.11704e-07% change) linmin: converged after 4 iterations. iteration 391: trace = 2.53222673225425 (2.97954e-08% change) large trace change predicted (1.22749e-07%) linmin: converged after 4 iterations. iteration 392: trace = 2.532226729145953 (1.2275e-07% change) linmin: converged after 6 iterations. iteration 393: trace = 2.532226723879179 (2.0799e-07% change) linmin: converged after 4 iterations. iteration 394: trace = 2.532226720749339 (1.236e-07% change) linmin: converged after 3 iterations. iteration 395: trace = 2.532226717717569 (1.19727e-07% change) linmin: converged after 7 iterations. iteration 396: trace = 2.532226712636237 (2.00667e-07% change) linmin: converged after 5 iterations. iteration 397: trace = 2.532226711143874 (5.89348e-08% change) large trace change predicted (1.43718e-07%) linmin: converged after 6 iterations. iteration 398: trace = 2.532226707504531 (1.43721e-07% change) linmin: converged after 9 iterations. iteration 399: trace = 2.532226704777937 (1.07676e-07% change) linmin: converged after 4 iterations. iteration 400: trace = 2.532226703923141 (3.37567e-08% change) large trace change predicted (9.54781e-08%) linmin: converged after 4 iterations. iteration 401: trace = 2.532226701505425 (9.54779e-08% change) linmin: converged after 4 iterations. iteration 402: trace = 2.532226700611998 (3.52823e-08% change) linmin: converged after 3 iterations. iteration 403: trace = 2.532226699502575 (4.38122e-08% change) linmin: converged after 4 iterations. iteration 404: trace = 2.532226698118861 (5.46441e-08% change) linmin: converged after 18 iterations. iteration 405: trace = 2.532226697375747 (2.93463e-08% change) large trace change predicted (9.08657e-08%) linmin: converged after 18 iterations. iteration 406: trace = 2.532226695074778 (9.08674e-08% change) linmin: converged after 9 iterations. iteration 407: trace = 2.532226692252427 (1.11457e-07% change) linmin: converged after 5 iterations. iteration 408: trace = 2.532226691607501 (2.54687e-08% change) large trace change predicted (1.26469e-07%) linmin: converged after 6 iterations. iteration 409: trace = 2.532226688404991 (1.2647e-07% change) linmin: converged after 4 iterations. iteration 410: trace = 2.532226685775206 (1.03853e-07% change) linmin: converged after 4 iterations. iteration 411: trace = 2.532226684082109 (6.6862e-08% change) linmin: converged after 4 iterations. iteration 412: trace = 2.532226681801977 (9.00445e-08% change) linmin: converged after 6 iterations. iteration 413: trace = 2.532226679123081 (1.05792e-07% change) linmin: converged after 10 iterations. iteration 414: trace = 2.532226678437074 (2.70911e-08% change) large trace change predicted (1.25421e-07%) linmin: converged after 4 iterations. iteration 415: trace = 2.532226675261169 (1.25419e-07% change) linmin: converged after 4 iterations. iteration 416: trace = 2.532226674090296 (4.62389e-08% change) linmin: converged after 4 iterations. iteration 417: trace = 2.532226672729436 (5.37416e-08% change) linmin: converged after 5 iterations. iteration 418: trace = 2.532226671514946 (4.79613e-08% change) linmin: converged after 10 iterations. iteration 419: trace = 2.532226671157329 (1.41226e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.532226670887899 (1.06401e-08% change) large trace change predicted (2.13704e-08%) linmin: converged after 5 iterations. iteration 421: trace = 2.532226670346748 (2.13706e-08% change) linmin: converged after 26 iterations. iteration 422: trace = 2.532226669296122 (4.14902e-08% change) linmin: converged after 4 iterations. iteration 423: trace = 2.532226668612469 (2.69981e-08% change) large trace change predicted (7.35552e-08%) linmin: converged after 7 iterations. iteration 424: trace = 2.532226666749861 (7.35561e-08% change) linmin: converged after 11 iterations. iteration 425: trace = 2.532226666106002 (2.54266e-08% change) large trace change predicted (8.06553e-08%) linmin: converged after 4 iterations. iteration 426: trace = 2.532226664063603 (8.06562e-08% change) linmin: converged after 4 iterations. iteration 427: trace = 2.532226662448988 (6.37627e-08% change) linmin: converged after 4 iterations. iteration 428: trace = 2.532226661605426 (3.3313e-08% change) large trace change predicted (7.30186e-08%) linmin: converged after 4 iterations. iteration 429: trace = 2.532226659756416 (7.30191e-08% change) linmin: converged after 4 iterations. iteration 430: trace = 2.532226657764718 (7.8654e-08% change) linmin: converged after 4 iterations. iteration 431: trace = 2.532226657360123 (1.59778e-08% change) large trace change predicted (6.77055e-08%) linmin: converged after 3 iterations. iteration 432: trace = 2.532226655645668 (6.77054e-08% change) linmin: converged after 6 iterations. iteration 433: trace = 2.532226654788052 (3.3868e-08% change) linmin: converged after 5 iterations. iteration 434: trace = 2.53222665408635 (2.77109e-08% change) linmin: converged after 3 iterations. iteration 435: trace = 2.5322266531748 (3.5998e-08% change) linmin: converged after 11 iterations. iteration 436: trace = 2.532226652699183 (1.87826e-08% change) linmin: converged after 4 iterations. iteration 437: trace = 2.532226652083595 (2.43101e-08% change) linmin: converged after 2 iterations. iteration 438: trace = 2.532226651244085 (3.3153e-08% change) linmin: converged after 4 iterations. iteration 439: trace = 2.532226651041608 (7.99601e-09% change) large trace change predicted (4.0329e-08%) linmin: converged after 4 iterations. iteration 440: trace = 2.532226650020399 (4.03285e-08% change) linmin: converged after 4 iterations. iteration 441: trace = 2.532226649217568 (3.17045e-08% change) linmin: converged after 4 iterations. iteration 442: trace = 2.532226648665257 (2.18113e-08% change) large trace change predicted (6.04572e-08%) linmin: converged after 7 iterations. iteration 443: trace = 2.532226647134317 (6.04582e-08% change) linmin: converged after 3 iterations. iteration 444: trace = 2.532226646514872 (2.44625e-08% change) large trace change predicted (5.76651e-08%) linmin: converged after 5 iterations. iteration 445: trace = 2.532226645054642 (5.76658e-08% change) linmin: converged after 24 iterations. iteration 446: trace = 2.532226642981611 (8.18659e-08% change) linmin: converged after 4 iterations. iteration 447: trace = 2.532226641784545 (4.72733e-08% change) linmin: converged after 4 iterations. iteration 448: trace = 2.532226641490246 (1.16221e-08% change) large trace change predicted (4.2077e-08%) linmin: converged after 4 iterations. iteration 449: trace = 2.532226640424756 (4.20772e-08% change) linmin: converged after 3 iterations. iteration 450: trace = 2.532226639885673 (2.12889e-08% change) linmin: converged after 4 iterations. iteration 451: trace = 2.532226639619012 (1.05307e-08% change) large trace change predicted (3.86864e-08%) linmin: converged after 4 iterations. iteration 452: trace = 2.53222663863938 (3.86866e-08% change) linmin: converged after 7 iterations. iteration 453: trace = 2.532226638405974 (9.21741e-09% change) large trace change predicted (4.96648e-08%) linmin: converged after 4 iterations. iteration 454: trace = 2.532226637148336 (4.96653e-08% change) linmin: converged after 4 iterations. iteration 455: trace = 2.532226636394698 (2.97618e-08% change) linmin: converged after 6 iterations. iteration 456: trace = 2.532226635957358 (1.7271e-08% change) large trace change predicted (3.49264e-08%) linmin: converged after 6 iterations. iteration 457: trace = 2.532226635072922 (3.49272e-08% change) linmin: converged after 4 iterations. iteration 458: trace = 2.532226634366181 (2.79099e-08% change) linmin: converged after 6 iterations. iteration 459: trace = 2.53222663372166 (2.54527e-08% change) large trace change predicted (6.149e-08%) linmin: converged after 10 iterations. iteration 460: trace = 2.532226632164558 (6.14914e-08% change) linmin: converged after 12 iterations. iteration 461: trace = 2.532226630994546 (4.62049e-08% change) linmin: converged after 4 iterations. iteration 462: trace = 2.532226630245454 (2.95823e-08% change) large trace change predicted (6.50625e-08%) linmin: converged after 18 iterations. iteration 463: trace = 2.532226628597869 (6.50646e-08% change) linmin: converged after 4 iterations. iteration 464: trace = 2.532226628094515 (1.98779e-08% change) linmin: converged after 7 iterations. iteration 465: trace = 2.532226627417812 (2.67236e-08% change) linmin: converged after 8 iterations. iteration 466: trace = 2.53222662659326 (3.25623e-08% change) linmin: converged after 16 iterations. iteration 467: trace = 2.532226626147764 (1.75931e-08% change) linmin: converged after 3 iterations. iteration 468: trace = 2.532226625573502 (2.26782e-08% change) linmin: converged after 3 iterations. iteration 469: trace = 2.532226625060686 (2.02516e-08% change) linmin: converged after 6 iterations. iteration 470: trace = 2.532226624849513 (8.33943e-09% change) large trace change predicted (2.20189e-08%) linmin: converged after 4 iterations. iteration 471: trace = 2.532226624291949 (2.20187e-08% change) linmin: converged after 11 iterations. iteration 472: trace = 2.53222662359165 (2.76555e-08% change) linmin: converged after 3 iterations. iteration 473: trace = 2.532226623272421 (1.26066e-08% change) large trace change predicted (3.46194e-08%) linmin: converged after 4 iterations. iteration 474: trace = 2.532226622395792 (3.46189e-08% change) linmin: converged after 4 iterations. iteration 475: trace = 2.532226621165654 (4.85793e-08% change) linmin: converged after 4 iterations. iteration 476: trace = 2.532226620892939 (1.07697e-08% change) large trace change predicted (3.9866e-08%) linmin: converged after 8 iterations. iteration 477: trace = 2.532226619883461 (3.98652e-08% change) linmin: converged after 3 iterations. iteration 478: trace = 2.532226619365546 (2.0453e-08% change) linmin: converged after 5 iterations. iteration 479: trace = 2.532226618898391 (1.84484e-08% change) linmin: converged after 4 iterations. iteration 480: trace = 2.532226618237102 (2.61149e-08% change) linmin: converged after 4 iterations. iteration 481: trace = 2.532226617672702 (2.22887e-08% change) linmin: converged after 8 iterations. iteration 482: trace = 2.532226617363803 (1.21987e-08% change) large trace change predicted (2.64826e-08%) linmin: converged after 6 iterations. iteration 483: trace = 2.532226616693195 (2.64829e-08% change) linmin: converged after 4 iterations. iteration 484: trace = 2.532226616591303 (4.02382e-09% change) large trace change predicted (1.28299e-08%) linmin: converged after 4 iterations. iteration 485: trace = 2.532226616266435 (1.28293e-08% change) linmin: converged after 4 iterations. iteration 486: trace = 2.532226616054341 (8.3758e-09% change) linmin: converged after 4 iterations. iteration 487: trace = 2.532226615985236 (2.72901e-09% change) large trace change predicted (1.68937e-08%) linmin: converged after 5 iterations. iteration 488: trace = 2.532226615557454 (1.68935e-08% change) linmin: converged after 4 iterations. iteration 489: trace = 2.53222661479069 (3.02802e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.532226614406174 (1.51849e-08% change) linmin: converged after 3 iterations. iteration 491: trace = 2.532226614033851 (1.47034e-08% change) linmin: converged after 16 iterations. iteration 492: trace = 2.532226613930253 (4.09117e-09% change) linmin: converged after 5 iterations. iteration 493: trace = 2.532226613782805 (5.82285e-09% change) linmin: converged after 4 iterations. iteration 494: trace = 2.532226613497331 (1.12736e-08% change) linmin: converged after 4 iterations. iteration 495: trace = 2.5322266134322 (2.57207e-09% change) large trace change predicted (1.24676e-08%) linmin: converged after 4 iterations. iteration 496: trace = 2.532226613116498 (1.24674e-08% change) linmin: converged after 4 iterations. iteration 497: trace = 2.532226612849333 (1.05506e-08% change) linmin: converged after 5 iterations. iteration 498: trace = 2.532226612671679 (7.01574e-09% change) large trace change predicted (1.55187e-08%) linmin: converged after 4 iterations. iteration 499: trace = 2.532226612278709 (1.55187e-08% change) linmin: converged after 13 iterations. iteration 500: trace = 2.53222661214454 (5.29845e-09% change) large trace change predicted (1.0852e-08%) linmin: converged after 4 iterations. iteration 501: trace = 2.532226611869744 (1.0852e-08% change) linmin: converged after 6 iterations. iteration 502: trace = 2.532226611491864 (1.49228e-08% change) linmin: converged after 4 iterations. iteration 503: trace = 2.532226611384417 (4.24316e-09% change) large trace change predicted (1.88038e-08%) linmin: converged after 5 iterations. iteration 504: trace = 2.532226610908254 (1.88041e-08% change) linmin: converged after 4 iterations. iteration 505: trace = 2.53222661047943 (1.69346e-08% change) linmin: converged after 6 iterations. iteration 506: trace = 2.53222661041365 (2.59772e-09% change) large trace change predicted (8.28489e-09%) linmin: converged after 4 iterations. iteration 507: trace = 2.532226610203849 (8.28524e-09% change) linmin: converged after 25 iterations. iteration 508: trace = 2.532226610063272 (5.5515e-09% change) linmin: converged after 18 iterations. iteration 509: trace = 2.532226609987323 (2.9993e-09% change) large trace change predicted (8.4149e-09%) linmin: converged after 4 iterations. iteration 510: trace = 2.532226609774248 (8.41456e-09% change) linmin: converged after 9 iterations. iteration 511: trace = 2.532226609588695 (7.32764e-09% change) linmin: converged after 4 iterations. iteration 512: trace = 2.532226609541653 (1.85775e-09% change) large trace change predicted (5.79052e-09%) linmin: converged after 6 iterations. iteration 513: trace = 2.532226609395017 (5.79079e-09% change) linmin: converged after 4 iterations. iteration 514: trace = 2.532226609252429 (5.63092e-09% change) linmin: converged after 24 iterations. iteration 515: trace = 2.532226609196888 (2.19338e-09% change) large trace change predicted (8.44117e-09%) linmin: converged after 7 iterations. iteration 516: trace = 2.532226608983142 (8.44101e-09% change) linmin: converged after 4 iterations. iteration 517: trace = 2.532226608793884 (7.47397e-09% change) linmin: converged after 24 iterations. iteration 518: trace = 2.532226608735672 (2.29887e-09% change) large trace change predicted (9.17243e-09%) linmin: converged after 4 iterations. iteration 519: trace = 2.532226608503412 (9.17215e-09% change) linmin: converged after 4 iterations. iteration 520: trace = 2.532226608299189 (8.06495e-09% change) linmin: converged after 4 iterations. iteration 521: trace = 2.532226608234273 (2.5636e-09% change) large trace change predicted (6.12924e-09%) linmin: converged after 14 iterations. iteration 522: trace = 2.532226608079074 (6.12895e-09% change) linmin: converged after 4 iterations. iteration 523: trace = 2.53222660795631 (4.84808e-09% change) linmin: converged after 6 iterations. iteration 524: trace = 2.532226607889546 (2.63657e-09% change) large trace change predicted (5.42555e-09%) linmin: converged after 4 iterations. iteration 525: trace = 2.532226607752166 (5.42524e-09% change) linmin: converged after 9 iterations. iteration 526: trace = 2.532226607708821 (1.71175e-09% change) linmin: converged after 5 iterations. iteration 527: trace = 2.53222660764279 (2.60762e-09% change) linmin: converged after 3 iterations. iteration 528: trace = 2.532226607553374 (3.53112e-09% change) linmin: converged after 6 iterations. iteration 529: trace = 2.532226607498507 (2.16676e-09% change) linmin: converged after 4 iterations. iteration 530: trace = 2.532226607445663 (2.08687e-09% change) linmin: converged after 18 iterations. iteration 531: trace = 2.532226607359868 (3.38812e-09% change) linmin: converged after 5 iterations. iteration 532: trace = 2.532226607341602 (7.21335e-10% change) large trace change predicted (4.0505e-09%) linmin: converged after 19 iterations. iteration 533: trace = 2.532226607239032 (4.05057e-09% change) linmin: converged after 2 iterations. iteration 534: trace = 2.532226607139635 (3.92531e-09% change) linmin: converged after 2 iterations. iteration 535: trace = 2.532226607097355 (1.66966e-09% change) large trace change predicted (4.56813e-09%) linmin: converged after 8 iterations. iteration 536: trace = 2.53222660698168 (4.56813e-09% change) linmin: converged after 18 iterations. iteration 537: trace = 2.532226606915867 (2.59902e-09% change) linmin: converged after 4 iterations. iteration 538: trace = 2.532226606854098 (2.43929e-09% change) linmin: converged after 6 iterations. iteration 539: trace = 2.532226606753426 (3.97565e-09% change) linmin: converged after 4 iterations. iteration 540: trace = 2.532226606734788 (7.36031e-10% change) large trace change predicted (2.12818e-09%) linmin: converged after 15 iterations. iteration 541: trace = 2.532226606680896 (2.12823e-09% change) linmin: converged after 3 iterations. iteration 542: trace = 2.532226606647867 (1.30435e-09% change) linmin: converged after 5 iterations. iteration 543: trace = 2.532226606614258 (1.32724e-09% change) linmin: converged after 5 iterations. iteration 544: trace = 2.532226606600247 (5.53326e-10% change) large trace change predicted (2.10615e-09%) linmin: converged after 5 iterations. iteration 545: trace = 2.532226606546915 (2.10611e-09% change) linmin: converged after 18 iterations. iteration 546: trace = 2.532226606496177 (2.00369e-09% change) linmin: converged after 4 iterations. iteration 547: trace = 2.532226606473317 (9.02795e-10% change) large trace change predicted (2.69432e-09%) linmin: converged after 28 iterations. iteration 548: trace = 2.532226606405092 (2.69423e-09% change) linmin: converged after 14 iterations. iteration 549: trace = 2.532226606367868 (1.47005e-09% change) linmin: converged after 4 iterations. iteration 550: trace = 2.532226606325584 (1.6698e-09% change) linmin: converged after 6 iterations. iteration 551: trace = 2.532226606252436 (2.88869e-09% change) linmin: converged after 19 iterations. iteration 552: trace = 2.532226606235226 (6.79666e-10% change) large trace change predicted (2.71916e-09%) linmin: converged after 7 iterations. iteration 553: trace = 2.532226606166367 (2.71931e-09% change) linmin: converged after 8 iterations. iteration 554: trace = 2.532226606097135 (2.73403e-09% change) linmin: converged after 4 iterations. iteration 555: trace = 2.532226606082086 (5.94293e-10% change) large trace change predicted (2.36944e-09%) linmin: converged after 2 iterations. iteration 556: trace = 2.532226606022078 (2.36975e-09% change) linmin: converged after 5 iterations. iteration 557: trace = 2.532226605996929 (9.93166e-10% change) linmin: converged after 3 iterations. iteration 558: trace = 2.53222660598975 (2.83511e-10% change) large trace change predicted (1.63796e-09%) linmin: converged after 3 iterations. iteration 559: trace = 2.532226605948276 (1.63786e-09% change) resetting CG direction... linmin: converged after 6 iterations. iteration 560: trace = 2.532226605924355 (9.44657e-10% change) linmin: converged after 7 iterations. iteration 561: trace = 2.532226605916192 (3.22374e-10% change) large trace change predicted (8.36009e-10%) linmin: converged after 4 iterations. iteration 562: trace = 2.532226605895024 (8.35925e-10% change) linmin: converged after 10 iterations. iteration 563: trace = 2.532226605877502 (6.91942e-10% change) linmin: converged after 5 iterations. iteration 564: trace = 2.532226605849383 (1.11046e-09% change) linmin: converged after 5 iterations. iteration 565: trace = 2.532226605797463 (2.05036e-09% change) linmin: converged after 3 iterations. iteration 566: trace = 2.532226605784479 (5.12761e-10% change) large trace change predicted (1.93442e-09%) linmin: converged after 16 iterations. iteration 567: trace = 2.532226605735508 (1.93391e-09% change) linmin: converged after 16 iterations. iteration 568: trace = 2.532226605689713 (1.80848e-09% change) linmin: converged after 15 iterations. iteration 569: trace = 2.532226605674653 (5.94732e-10% change) large trace change predicted (1.70523e-09%) linmin: converged after 12 iterations. iteration 570: trace = 2.532226605631478 (1.70505e-09% change) linmin: converged after 5 iterations. iteration 571: trace = 2.532226605592225 (1.55012e-09% change) linmin: converged after 11 iterations. iteration 572: trace = 2.532226605583402 (3.48417e-10% change) large trace change predicted (1.65873e-09%) linmin: converged after 11 iterations. iteration 573: trace = 2.532226605541394 (1.65894e-09% change) linmin: converged after 3 iterations. iteration 574: trace = 2.532226605516287 (9.91482e-10% change) linmin: converged after 4 iterations. iteration 575: trace = 2.532226605509172 (2.80986e-10% change) large trace change predicted (7.80835e-10%) linmin: converged after 4 iterations. iteration 576: trace = 2.532226605489389 (7.81243e-10% change) linmin: converged after 10 iterations. iteration 577: trace = 2.532226605479148 (4.0445e-10% change) linmin: converged after 4 iterations. iteration 578: trace = 2.532226605468817 (4.07992e-10% change) large trace change predicted (8.67635e-10%) linmin: converged after 7 iterations. iteration 579: trace = 2.532226605446843 (8.67773e-10% change) linmin: converged after 9 iterations. iteration 580: trace = 2.532226605441872 (1.96297e-10% change) large trace change predicted (1.15967e-09%) linmin: converged after 4 iterations. iteration 581: trace = 2.532226605412514 (1.15939e-09% change) linmin: converged after 7 iterations. iteration 582: trace = 2.53222660538977 (8.98148e-10% change) linmin: converged after 3 iterations. iteration 583: trace = 2.532226605367057 (8.96955e-10% change) linmin: converged after 10 iterations. iteration 584: trace = 2.532226605327864 (1.54777e-09% change) linmin: converged after 7 iterations. iteration 585: trace = 2.532226605285877 (1.65814e-09% change) linmin: converged after 8 iterations. iteration 586: trace = 2.532226605270328 (6.1404e-10% change) large trace change predicted (1.56101e-09%) linmin: converged after 4 iterations. iteration 587: trace = 2.532226605230797 (1.5611e-09% change) linmin: converged after 9 iterations. iteration 588: trace = 2.53222660519963 (1.23083e-09% change) linmin: converged after 4 iterations. iteration 589: trace = 2.532226605182073 (6.93345e-10% change) linmin: converged after 3 iterations. iteration 590: trace = 2.532226605174194 (3.11133e-10% change) large trace change predicted (7.03193e-10%) linmin: converged after 4 iterations. iteration 591: trace = 2.532226605156382 (7.03429e-10% change) linmin: converged after 7 iterations. iteration 592: trace = 2.532226605139195 (6.78701e-10% change) linmin: converged after 5 iterations. iteration 593: trace = 2.532226605126573 (4.98468e-10% change) large trace change predicted (1.13043e-09%) linmin: converged after 25 iterations. iteration 594: trace = 2.532226605097953 (1.13024e-09% change) linmin: converged after 4 iterations. iteration 595: trace = 2.532226605087848 (3.99048e-10% change) large trace change predicted (1.08523e-09%) linmin: converged after 4 iterations. iteration 596: trace = 2.532226605060362 (1.08545e-09% change) linmin: converged after 16 iterations. iteration 597: trace = 2.532226605039209 (8.35364e-10% change) linmin: converged after 5 iterations. iteration 598: trace = 2.532226605028498 (4.22969e-10% change) large trace change predicted (1.50381e-09%) linmin: converged after 5 iterations. iteration 599: trace = 2.532226604990428 (1.50342e-09% change) linmin: converged after 4 iterations. iteration 600: trace = 2.532226604957191 (1.31258e-09% change) linmin: converged after 3 iterations. iteration 601: trace = 2.532226604947559 (3.80371e-10% change) large trace change predicted (1.33953e-09%) linmin: converged after 29 iterations. iteration 602: trace = 2.532226604913645 (1.33929e-09% change) linmin: converged after 4 iterations. iteration 603: trace = 2.532226604886742 (1.06242e-09% change) linmin: converged after 4 iterations. iteration 604: trace = 2.532226604877006 (3.84475e-10% change) linmin: converged after 18 iterations. iteration 605: trace = 2.532226604860627 (6.46853e-10% change) linmin: converged after 20 iterations. iteration 606: trace = 2.532226604838864 (8.59425e-10% change) linmin: converged after 4 iterations. iteration 607: trace = 2.532226604833942 (1.94386e-10% change) large trace change predicted (6.46465e-10%) linmin: converged after 15 iterations. iteration 608: trace = 2.532226604817579 (6.46169e-10% change) linmin: converged after 9 iterations. iteration 609: trace = 2.532226604808504 (3.58396e-10% change) linmin: converged after 3 iterations. iteration 610: trace = 2.532226604799765 (3.4512e-10% change) linmin: converged after 12 iterations. iteration 611: trace = 2.532226604786059 (5.4126e-10% change) linmin: converged after 6 iterations. iteration 612: trace = 2.532226604775557 (4.14727e-10% change) linmin: converged after 8 iterations. iteration 613: trace = 2.532226604765492 (3.97487e-10% change) large trace change predicted (1.24705e-09%) linmin: converged after 4 iterations. iteration 614: trace = 2.532226604733904 (1.24742e-09% change) linmin: converged after 22 iterations. iteration 615: trace = 2.53222660471536 (7.32331e-10% change) linmin: converged after 5 iterations. iteration 616: trace = 2.532226604701292 (5.55553e-10% change) linmin: converged after 22 iterations. iteration 617: trace = 2.532226604680363 (8.26507e-10% change) linmin: converged after 4 iterations. iteration 618: trace = 2.532226604666321 (5.54536e-10% change) linmin: converged after 4 iterations. iteration 619: trace = 2.532226604660268 (2.39019e-10% change) large trace change predicted (7.278e-10%) linmin: converged after 7 iterations. iteration 620: trace = 2.532226604641838 (7.27806e-10% change) linmin: converged after 15 iterations. iteration 621: trace = 2.532226604631322 (4.15323e-10% change) linmin: converged after 12 iterations. iteration 622: trace = 2.532226604624705 (2.61291e-10% change) linmin: converged after 5 iterations. iteration 623: trace = 2.532226604612596 (4.78195e-10% change) linmin: converged after 3 iterations. iteration 624: trace = 2.53222660460993 (1.05295e-10% change) large trace change predicted (2.88267e-10%) linmin: converged after 6 iterations. iteration 625: trace = 2.532226604602631 (2.88229e-10% change) linmin: converged after 3 iterations. iteration 626: trace = 2.532226604596484 (2.42772e-10% change) linmin: converged after 3 iterations. iteration 627: trace = 2.532226604594542 (7.66739e-11% change) Finished solving for bands 1 to 10 after 627 iterations. tmfreqs:, 8, 0.333333, 0.333333, 0, 0.471405, 0.210879, 0.35463, 0.361245, 0.439486, 0.507022, 0.508252, 0.543815, 0.620599, 0.646589, 0.651154 elapsed time for k point: 12.563739538192749 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.553206168816197 (2.55578% change) linmin: converged after 5 iterations. iteration 2: trace = 2.488913522176468 (2.55022% change) linmin: converged after 4 iterations. iteration 3: trace = 2.465199453607146 (0.957349% change) linmin: converged after 5 iterations. iteration 4: trace = 2.460843067716959 (0.176872% change) large trace change predicted (0.419623%) linmin: converged after 4 iterations. iteration 5: trace = 2.450658553521348 (0.414721% change) linmin: converged after 4 iterations. iteration 6: trace = 2.447937438385416 (0.111098% change) linmin: converged after 4 iterations. iteration 7: trace = 2.445239379206727 (0.110278% change) linmin: converged after 4 iterations. iteration 8: trace = 2.442317532386603 (0.119563% change) linmin: converged after 4 iterations. iteration 9: trace = 2.441409233250606 (0.037197% change) linmin: converged after 4 iterations. iteration 10: trace = 2.439907631171931 (0.0615245% change) linmin: converged after 4 iterations. iteration 11: trace = 2.439403408313957 (0.0206678% change) linmin: converged after 3 iterations. iteration 12: trace = 2.438989964545408 (0.01695% change) linmin: converged after 3 iterations. iteration 13: trace = 2.438435760202181 (0.0227253% change) linmin: converged after 4 iterations. iteration 14: trace = 2.438281763473605 (0.00631559% change) large trace change predicted (0.0151056%) linmin: converged after 3 iterations. iteration 15: trace = 2.437911250004986 (0.0151968% change) linmin: converged after 3 iterations. iteration 16: trace = 2.437756489240197 (0.00634829% change) linmin: converged after 3 iterations. iteration 17: trace = 2.437475044817657 (0.0115459% change) linmin: converged after 4 iterations. iteration 18: trace = 2.437033020543046 (0.0181362% change) linmin: converged after 4 iterations. iteration 19: trace = 2.436850965145192 (0.00747065% change) linmin: converged after 4 iterations. iteration 20: trace = 2.436522594160308 (0.0134761% change) linmin: converged after 3 iterations. iteration 21: trace = 2.436395587248601 (0.00521277% change) large trace change predicted (0.0178793%) linmin: converged after 4 iterations. iteration 22: trace = 2.435954715346172 (0.0180969% change) linmin: converged after 4 iterations. iteration 23: trace = 2.435746518130492 (0.00854721% change) linmin: converged after 3 iterations. iteration 24: trace = 2.43548872656881 (0.0105842% change) linmin: converged after 3 iterations. iteration 25: trace = 2.435193434841952 (0.0121253% change) linmin: converged after 3 iterations. iteration 26: trace = 2.435111806558891 (0.00335208% change) large trace change predicted (0.0170021%) linmin: converged after 4 iterations. iteration 27: trace = 2.434694802999575 (0.0171261% change) linmin: converged after 3 iterations. iteration 28: trace = 2.434620967258605 (0.00303269% change) large trace change predicted (0.0100123%) linmin: converged after 3 iterations. iteration 29: trace = 2.434376884739588 (0.010026% change) linmin: converged after 4 iterations. iteration 30: trace = 2.434193220643092 (0.00754489% change) linmin: converged after 3 iterations. iteration 31: trace = 2.43408129447112 (0.00459819% change) linmin: converged after 4 iterations. iteration 32: trace = 2.433914017447653 (0.00687252% change) linmin: converged after 4 iterations. iteration 33: trace = 2.433862480700034 (0.00211747% change) large trace change predicted (0.00703872%) linmin: converged after 3 iterations. iteration 34: trace = 2.433691126588729 (0.00704067% change) linmin: converged after 4 iterations. iteration 35: trace = 2.433624308257584 (0.00274559% change) large trace change predicted (0.00707866%) linmin: converged after 4 iterations. iteration 36: trace = 2.433451851448087 (0.00708667% change) linmin: converged after 3 iterations. iteration 37: trace = 2.433377303894021 (0.0030635% change) linmin: converged after 4 iterations. iteration 38: trace = 2.433271887753915 (0.00433219% change) linmin: converged after 3 iterations. iteration 39: trace = 2.433178232693019 (0.00384901% change) linmin: converged after 3 iterations. iteration 40: trace = 2.433135858427231 (0.00174153% change) large trace change predicted (0.00592582%) linmin: converged after 3 iterations. iteration 41: trace = 2.43299149796888 (0.00593328% change) linmin: converged after 3 iterations. iteration 42: trace = 2.432956058108746 (0.00145665% change) large trace change predicted (0.00705929%) linmin: converged after 3 iterations. iteration 43: trace = 2.432783990392487 (0.00707262% change) linmin: converged after 4 iterations. iteration 44: trace = 2.43271983933429 (0.00263697% change) large trace change predicted (0.0056787%) linmin: converged after 3 iterations. iteration 45: trace = 2.43258066274019 (0.00572119% change) linmin: converged after 3 iterations. iteration 46: trace = 2.432479353082065 (0.00416479% change) linmin: converged after 3 iterations. iteration 47: trace = 2.432285018851485 (0.00798946% change) linmin: converged after 3 iterations. iteration 48: trace = 2.432170783855584 (0.00469672% change) linmin: converged after 5 iterations. iteration 49: trace = 2.432052599063973 (0.00485935% change) linmin: converged after 4 iterations. iteration 50: trace = 2.431877521645553 (0.00719901% change) linmin: converged after 3 iterations. iteration 51: trace = 2.431795696571765 (0.00336474% change) linmin: converged after 3 iterations. iteration 52: trace = 2.431696370206239 (0.00408457% change) linmin: converged after 4 iterations. iteration 53: trace = 2.431636736171428 (0.00245239% change) large trace change predicted (0.00592306%) linmin: converged after 3 iterations. iteration 54: trace = 2.431492382202667 (0.00593667% change) linmin: converged after 4 iterations. iteration 55: trace = 2.431457140770542 (0.00144939% change) large trace change predicted (0.00664181%) linmin: converged after 7 iterations. iteration 56: trace = 2.431295723483317 (0.00663893% change) linmin: converged after 3 iterations. iteration 57: trace = 2.431257061492011 (0.00159019% change) large trace change predicted (0.00464802%) linmin: converged after 3 iterations. iteration 58: trace = 2.431144065623504 (0.00464774% change) linmin: converged after 4 iterations. iteration 59: trace = 2.431090040132743 (0.00222225% change) linmin: converged after 4 iterations. iteration 60: trace = 2.431016685534583 (0.0030174% change) linmin: converged after 3 iterations. iteration 61: trace = 2.430957048074094 (0.00245322% change) linmin: converged after 4 iterations. iteration 62: trace = 2.430908598510765 (0.00199304% change) linmin: converged after 4 iterations. iteration 63: trace = 2.430849625978688 (0.00242598% change) linmin: converged after 16 iterations. iteration 64: trace = 2.430813229487035 (0.00149729% change) linmin: converged after 5 iterations. iteration 65: trace = 2.430743313670041 (0.00287627% change) linmin: converged after 3 iterations. iteration 66: trace = 2.430720432658927 (0.000941322% change) large trace change predicted (0.00257254%) linmin: converged after 3 iterations. iteration 67: trace = 2.430657816269234 (0.00257608% change) linmin: converged after 4 iterations. iteration 68: trace = 2.430628249699476 (0.00121641% change) large trace change predicted (0.00251887%) linmin: converged after 3 iterations. iteration 69: trace = 2.430567019993828 (0.00251912% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.430539112056088 (0.00114821% change) linmin: converged after 3 iterations. iteration 71: trace = 2.430504601292409 (0.00141989% change) linmin: converged after 3 iterations. iteration 72: trace = 2.430479146313342 (0.00104732% change) linmin: converged after 17 iterations. iteration 73: trace = 2.430467703330585 (0.000470813% change) linmin: converged after 3 iterations. iteration 74: trace = 2.430449154460895 (0.000763184% change) linmin: converged after 3 iterations. iteration 75: trace = 2.430430804208796 (0.000755018% change) linmin: converged after 3 iterations. iteration 76: trace = 2.430421400586024 (0.000386913% change) large trace change predicted (0.000998645%) linmin: converged after 8 iterations. iteration 77: trace = 2.430397154975483 (0.000997594% change) linmin: converged after 3 iterations. iteration 78: trace = 2.43036205674189 (0.00144415% change) linmin: converged after 6 iterations. iteration 79: trace = 2.430349777086233 (0.000505262% change) large trace change predicted (0.00196781%) linmin: converged after 3 iterations. iteration 80: trace = 2.430301912394327 (0.00196948% change) linmin: converged after 7 iterations. iteration 81: trace = 2.430250553068615 (0.00211331% change) linmin: converged after 4 iterations. iteration 82: trace = 2.430233114822787 (0.000717552% change) large trace change predicted (0.00378183%) linmin: converged after 4 iterations. iteration 83: trace = 2.430141269705242 (0.00377934% change) linmin: converged after 3 iterations. iteration 84: trace = 2.430107780745169 (0.00137808% change) linmin: converged after 3 iterations. iteration 85: trace = 2.430052042648951 (0.00229367% change) linmin: converged after 5 iterations. iteration 86: trace = 2.430006080255407 (0.00189143% change) linmin: converged after 4 iterations. iteration 87: trace = 2.429964695068917 (0.0017031% change) linmin: converged after 3 iterations. iteration 88: trace = 2.429930827032861 (0.00139378% change) linmin: converged after 4 iterations. iteration 89: trace = 2.429891857692732 (0.00160374% change) linmin: converged after 3 iterations. iteration 90: trace = 2.429864659266988 (0.00111933% change) linmin: converged after 4 iterations. iteration 91: trace = 2.429844017241851 (0.000849517% change) linmin: converged after 3 iterations. iteration 92: trace = 2.429825115349774 (0.000777909% change) linmin: converged after 5 iterations. iteration 93: trace = 2.429820296173038 (0.000198335% change) linmin: converged after 3 iterations. iteration 94: trace = 2.429811477657096 (0.000362929% change) linmin: converged after 8 iterations. iteration 95: trace = 2.42979934355948 (0.000499386% change) linmin: converged after 3 iterations. iteration 96: trace = 2.429796372600077 (0.000122272% change) large trace change predicted (0.00051707%) linmin: converged after 3 iterations. iteration 97: trace = 2.429783810394517 (0.000517008% change) linmin: converged after 4 iterations. iteration 98: trace = 2.429779162602486 (0.000191284% change) large trace change predicted (0.000404226%) linmin: converged after 3 iterations. iteration 99: trace = 2.429769346784498 (0.000403981% change) linmin: converged after 3 iterations. iteration 100: trace = 2.429751324376303 (0.000741736% change) linmin: converged after 7 iterations. iteration 101: trace = 2.429742344963515 (0.000369562% change) large trace change predicted (0.0014195%) linmin: converged after 5 iterations. iteration 102: trace = 2.429707983082718 (0.00141423% change) linmin: converged after 4 iterations. iteration 103: trace = 2.42966462061054 (0.00178469% change) linmin: converged after 3 iterations. iteration 104: trace = 2.429647034944932 (0.000723792% change) large trace change predicted (0.00236012%) linmin: converged after 4 iterations. iteration 105: trace = 2.429590040768011 (0.00234581% change) linmin: converged after 3 iterations. iteration 106: trace = 2.429561802162321 (0.00116229% change) linmin: converged after 4 iterations. iteration 107: trace = 2.42953514584726 (0.00109717% change) linmin: converged after 4 iterations. iteration 108: trace = 2.429519658535757 (0.000637462% change) linmin: converged after 5 iterations. iteration 109: trace = 2.429512019937564 (0.000314408% change) linmin: converged after 3 iterations. iteration 110: trace = 2.42949807749619 (0.00057388% change) linmin: converged after 5 iterations. iteration 111: trace = 2.429487501265166 (0.000435327% change) linmin: converged after 3 iterations. iteration 112: trace = 2.429483233709898 (0.000175657% change) large trace change predicted (0.00047456%) linmin: converged after 3 iterations. iteration 113: trace = 2.429471697273391 (0.000474853% change) linmin: converged after 3 iterations. iteration 114: trace = 2.429465141710521 (0.000269835% change) linmin: converged after 19 iterations. iteration 115: trace = 2.429459376093233 (0.000237321% change) large trace change predicted (0.000650692%) linmin: converged after 3 iterations. iteration 116: trace = 2.429443541268665 (0.000651786% change) linmin: converged after 4 iterations. iteration 117: trace = 2.429438057352898 (0.000225727% change) linmin: converged after 3 iterations. iteration 118: trace = 2.429427434853781 (0.000437242% change) linmin: converged after 4 iterations. iteration 119: trace = 2.429413298181462 (0.000581895% change) linmin: converged after 3 iterations. iteration 120: trace = 2.429408310365758 (0.00020531% change) large trace change predicted (0.000901138%) linmin: converged after 4 iterations. iteration 121: trace = 2.429386314655078 (0.000905398% change) linmin: converged after 3 iterations. iteration 122: trace = 2.429375627143059 (0.000439927% change) linmin: converged after 3 iterations. iteration 123: trace = 2.429364827340729 (0.000444552% change) large trace change predicted (0.00110616%) linmin: converged after 3 iterations. iteration 124: trace = 2.429337825825594 (0.00111147% change) linmin: converged after 10 iterations. iteration 125: trace = 2.429334068490486 (0.000154665% change) large trace change predicted (0.000524049%) linmin: converged after 4 iterations. iteration 126: trace = 2.429321320428602 (0.000524757% change) linmin: converged after 5 iterations. iteration 127: trace = 2.429312234474123 (0.000374013% change) linmin: converged after 10 iterations. iteration 128: trace = 2.429307005893452 (0.000215229% change) linmin: converged after 5 iterations. iteration 129: trace = 2.429299567704954 (0.000306186% change) linmin: converged after 3 iterations. iteration 130: trace = 2.429296421713685 (0.000129502% change) linmin: converged after 3 iterations. iteration 131: trace = 2.429294299732878 (8.73496e-05% change) linmin: converged after 4 iterations. iteration 132: trace = 2.429292114624847 (8.99483e-05% change) linmin: converged after 5 iterations. iteration 133: trace = 2.429291261271898 (3.51276e-05% change) large trace change predicted (0.000155926%) linmin: converged after 3 iterations. iteration 134: trace = 2.429287471703629 (0.000155995% change) linmin: converged after 4 iterations. iteration 135: trace = 2.429285650799518 (7.49563e-05% change) linmin: converged after 3 iterations. iteration 136: trace = 2.429283965541126 (6.93726e-05% change) linmin: converged after 3 iterations. iteration 137: trace = 2.429281356231071 (0.000107411% change) linmin: converged after 5 iterations. iteration 138: trace = 2.429278109179619 (0.000133663% change) linmin: converged after 3 iterations. iteration 139: trace = 2.429275607964057 (0.000102961% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.429274090497703 (6.24658e-05% change) linmin: converged after 7 iterations. iteration 141: trace = 2.429272892605606 (4.93107e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.429271251979163 (6.75357e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.429270229883542 (4.20742e-05% change) linmin: converged after 3 iterations. iteration 144: trace = 2.429268641653684 (6.53789e-05% change) linmin: converged after 3 iterations. iteration 145: trace = 2.429267039629796 (6.59468e-05% change) linmin: converged after 4 iterations. iteration 146: trace = 2.429266473904391 (2.32879e-05% change) large trace change predicted (8.09004e-05%) linmin: converged after 3 iterations. iteration 147: trace = 2.429264509320561 (8.08715e-05% change) linmin: converged after 4 iterations. iteration 148: trace = 2.429263343312694 (4.79984e-05% change) linmin: converged after 14 iterations. iteration 149: trace = 2.42926189391018 (5.96643e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.429259834542481 (8.47734e-05% change) linmin: converged after 3 iterations. iteration 151: trace = 2.429256942303231 (0.000119059% change) linmin: converged after 4 iterations. iteration 152: trace = 2.429255769399568 (4.82824e-05% change) large trace change predicted (0.000132885%) linmin: converged after 5 iterations. iteration 153: trace = 2.429252542843659 (0.000132821% change) linmin: converged after 3 iterations. iteration 154: trace = 2.429251747464987 (3.27417e-05% change) large trace change predicted (0.000118737%) linmin: converged after 8 iterations. iteration 155: trace = 2.429248865905582 (0.000118619% change) linmin: converged after 4 iterations. iteration 156: trace = 2.42924673344277 (8.77828e-05% change) linmin: converged after 4 iterations. iteration 157: trace = 2.429245828520328 (3.72512e-05% change) large trace change predicted (0.000116493%) linmin: converged after 3 iterations. iteration 158: trace = 2.429242998848742 (0.000116484% change) linmin: converged after 6 iterations. iteration 159: trace = 2.429241096617333 (7.83056e-05% change) linmin: converged after 4 iterations. iteration 160: trace = 2.42924032983574 (3.15647e-05% change) large trace change predicted (9.34815e-05%) linmin: converged after 4 iterations. iteration 161: trace = 2.429238059564544 (9.34561e-05% change) linmin: converged after 3 iterations. iteration 162: trace = 2.429235901050332 (8.88556e-05% change) linmin: converged after 4 iterations. iteration 163: trace = 2.429234974875157 (3.81262e-05% change) linmin: converged after 5 iterations. iteration 164: trace = 2.429234226437845 (3.08096e-05% change) linmin: converged after 3 iterations. iteration 165: trace = 2.429233760287 (1.91892e-05% change) linmin: converged after 3 iterations. iteration 166: trace = 2.429233083652059 (2.78538e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.42923228976948 (3.26804e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.429232087235763 (8.33736e-06% change) large trace change predicted (2.08602e-05%) linmin: converged after 3 iterations. iteration 169: trace = 2.429231580486015 (2.08605e-05% change) large trace change predicted (4.66328e-05%) linmin: converged after 4 iterations. iteration 170: trace = 2.429230446808193 (4.66682e-05% change) linmin: converged after 4 iterations. iteration 171: trace = 2.429230029313423 (1.71863e-05% change) large trace change predicted (4.95122e-05%) linmin: converged after 5 iterations. iteration 172: trace = 2.429228825902713 (4.95388e-05% change) large trace change predicted (0.000101327%) linmin: converged after 5 iterations. iteration 173: trace = 2.429226360627448 (0.000101484% change) linmin: converged after 3 iterations. iteration 174: trace = 2.429225413286034 (3.89977e-05% change) large trace change predicted (0.000151765%) linmin: converged after 4 iterations. iteration 175: trace = 2.429221715724027 (0.000152212% change) linmin: converged after 5 iterations. iteration 176: trace = 2.429220558788675 (4.76258e-05% change) large trace change predicted (0.00010141%) linmin: converged after 12 iterations. iteration 177: trace = 2.429218089729574 (0.00010164% change) linmin: converged after 4 iterations. iteration 178: trace = 2.429216771135857 (5.42806e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.429216251890616 (2.1375e-05% change) linmin: converged after 4 iterations. iteration 180: trace = 2.429215475579113 (3.19573e-05% change) linmin: converged after 4 iterations. iteration 181: trace = 2.429214785804005 (2.8395e-05% change) linmin: converged after 3 iterations. iteration 182: trace = 2.429214654611155 (5.40063e-06% change) large trace change predicted (1.81667e-05%) linmin: converged after 3 iterations. iteration 183: trace = 2.429214213253173 (1.81688e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.429213874194834 (1.39575e-05% change) linmin: converged after 3 iterations. iteration 185: trace = 2.429213471555105 (1.65749e-05% change) large trace change predicted (4.60087e-05%) linmin: converged after 4 iterations. iteration 186: trace = 2.429212353864792 (4.60104e-05% change) linmin: converged after 4 iterations. iteration 187: trace = 2.429211743942172 (2.51078e-05% change) linmin: converged after 3 iterations. iteration 188: trace = 2.429211042039475 (2.88943e-05% change) large trace change predicted (6.18459e-05%) linmin: converged after 5 iterations. iteration 189: trace = 2.429209539386471 (6.18577e-05% change) linmin: converged after 3 iterations. iteration 190: trace = 2.429208123537947 (5.82843e-05% change) linmin: converged after 4 iterations. iteration 191: trace = 2.429207038773224 (4.46551e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.429205440750132 (6.57838e-05% change) linmin: converged after 4 iterations. iteration 193: trace = 2.429204574205758 (3.56719e-05% change) large trace change predicted (7.26755e-05%) linmin: converged after 3 iterations. iteration 194: trace = 2.429202809260826 (7.26553e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.429201150997931 (6.82637e-05% change) linmin: converged after 4 iterations. iteration 196: trace = 2.429200389196816 (3.13602e-05% change) large trace change predicted (8.59863e-05%) linmin: converged after 4 iterations. iteration 197: trace = 2.429198301015019 (8.59617e-05% change) linmin: converged after 4 iterations. iteration 198: trace = 2.429196423581577 (7.72862e-05% change) linmin: converged after 3 iterations. iteration 199: trace = 2.429196163070557 (1.07242e-05% change) large trace change predicted (4.10946e-05%) linmin: converged after 3 iterations. iteration 200: trace = 2.429195164941364 (4.10889e-05% change) linmin: converged after 11 iterations. iteration 201: trace = 2.429194907544185 (1.0596e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.429194557816407 (1.43969e-05% change) linmin: converged after 3 iterations. iteration 203: trace = 2.429193904088141 (2.69113e-05% change) linmin: converged after 3 iterations. iteration 204: trace = 2.429193618485352 (1.17571e-05% change) linmin: converged after 3 iterations. iteration 205: trace = 2.429193221036997 (1.63613e-05% change) linmin: converged after 3 iterations. iteration 206: trace = 2.429192457060002 (3.14498e-05% change) linmin: converged after 3 iterations. iteration 207: trace = 2.429192169532203 (1.18364e-05% change) large trace change predicted (2.41114e-05%) linmin: converged after 3 iterations. iteration 208: trace = 2.429191583712921 (2.41158e-05% change) large trace change predicted (9.6824e-05%) linmin: converged after 3 iterations. iteration 209: trace = 2.4291892321825 (9.68031e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.429188657988643 (2.36373e-05% change) linmin: converged after 2 iterations. iteration 211: trace = 2.429187769572823 (3.65725e-05% change) linmin: converged after 5 iterations. iteration 212: trace = 2.42918743983361 (1.35741e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.429187079855572 (1.48189e-05% change) linmin: converged after 2 iterations. iteration 214: trace = 2.42918652933246 (2.26629e-05% change) linmin: converged after 3 iterations. iteration 215: trace = 2.429186366151267 (6.71752e-06% change) linmin: converged after 4 iterations. iteration 216: trace = 2.429186160930809 (8.44812e-06% change) large trace change predicted (2.60818e-05%) linmin: converged after 2 iterations. iteration 217: trace = 2.429185527351795 (2.60819e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.429185408986634 (4.87263e-06% change) large trace change predicted (2.27382e-05%) linmin: converged after 2 iterations. iteration 219: trace = 2.429184856622829 (2.27386e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.42918457780566 (1.14778e-05% change) linmin: converged after 2 iterations. iteration 221: trace = 2.429184365842354 (8.7257e-06% change) large trace change predicted (2.15341e-05%) linmin: converged after 3 iterations. iteration 222: trace = 2.429183842743373 (2.15339e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 2.429183417151484 (1.752e-05% change) linmin: converged after 5 iterations. iteration 224: trace = 2.429183174119346 (1.00047e-05% change) large trace change predicted (2.3181e-05%) linmin: converged after 3 iterations. iteration 225: trace = 2.429182611063661 (2.31788e-05% change) linmin: converged after 3 iterations. iteration 226: trace = 2.42918232190907 (1.19034e-05% change) linmin: converged after 2 iterations. iteration 227: trace = 2.429181955981274 (1.50638e-05% change) linmin: converged after 7 iterations. iteration 228: trace = 2.429181270204921 (2.82308e-05% change) linmin: converged after 3 iterations. iteration 229: trace = 2.429180877269981 (1.61756e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.429180364219587 (2.11203e-05% change) linmin: converged after 5 iterations. iteration 231: trace = 2.429179421707906 (3.87996e-05% change) linmin: converged after 5 iterations. iteration 232: trace = 2.429179281210436 (5.78374e-06% change) large trace change predicted (1.98356e-05%) linmin: converged after 4 iterations. iteration 233: trace = 2.429178799409997 (1.98339e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.429178594255163 (8.44544e-06% change) linmin: converged after 3 iterations. iteration 235: trace = 2.429178489009784 (4.33255e-06% change) linmin: converged after 4 iterations. iteration 236: trace = 2.429178319824765 (6.9647e-06% change) linmin: converged after 8 iterations. iteration 237: trace = 2.429178182228264 (5.66432e-06% change) linmin: converged after 14 iterations. iteration 238: trace = 2.429178139686751 (1.75127e-06% change) large trace change predicted (5.53297e-06%) linmin: converged after 5 iterations. iteration 239: trace = 2.429178005300835 (5.53216e-06% change) linmin: converged after 19 iterations. iteration 240: trace = 2.429177771876294 (9.6092e-06% change) linmin: converged after 30 iterations. iteration 241: trace = 2.429177651786342 (4.94365e-06% change) linmin: converged after 4 iterations. iteration 242: trace = 2.429177448444116 (8.37083e-06% change) large trace change predicted (1.95675e-05%) linmin: converged after 6 iterations. iteration 243: trace = 2.429176973417656 (1.9555e-05% change) linmin: converged after 4 iterations. iteration 244: trace = 2.429176883334529 (3.70838e-06% change) large trace change predicted (2.29579e-05%) linmin: converged after 4 iterations. iteration 245: trace = 2.429176326068955 (2.29405e-05% change) linmin: converged after 8 iterations. iteration 246: trace = 2.429176033466312 (1.20453e-05% change) linmin: converged after 11 iterations. iteration 247: trace = 2.429175746822236 (1.18001e-05% change) linmin: converged after 4 iterations. iteration 248: trace = 2.429175362060536 (1.58392e-05% change) linmin: converged after 3 iterations. iteration 249: trace = 2.429175143838856 (8.98336e-06% change) linmin: converged after 4 iterations. iteration 250: trace = 2.429174822564658 (1.32257e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 2.429174449461158 (1.53593e-05% change) linmin: converged after 5 iterations. iteration 252: trace = 2.429174342302397 (4.41132e-06% change) large trace change predicted (1.3978e-05%) linmin: converged after 4 iterations. iteration 253: trace = 2.429174002858426 (1.39736e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.429173728692334 (1.12864e-05% change) linmin: converged after 4 iterations. iteration 255: trace = 2.42917366564504 (2.59542e-06% change) linmin: converged after 2 iterations. iteration 256: trace = 2.429173552584952 (4.65426e-06% change) linmin: converged after 10 iterations. iteration 257: trace = 2.429173443982476 (4.47076e-06% change) linmin: converged after 4 iterations. iteration 258: trace = 2.429173383852243 (2.47534e-06% change) large trace change predicted (6.80528e-06%) linmin: converged after 4 iterations. iteration 259: trace = 2.429173218540605 (6.80526e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 2.429173129172352 (3.67896e-06% change) large trace change predicted (1.03162e-05%) linmin: converged after 3 iterations. iteration 261: trace = 2.42917287856744 (1.03165e-05% change) linmin: converged after 4 iterations. iteration 262: trace = 2.429172587315583 (1.19898e-05% change) linmin: converged after 4 iterations. iteration 263: trace = 2.429172450699345 (5.62398e-06% change) large trace change predicted (2.30115e-05%) linmin: converged after 3 iterations. iteration 264: trace = 2.429171891398044 (2.30244e-05% change) linmin: converged after 3 iterations. iteration 265: trace = 2.429171498430787 (1.6177e-05% change) linmin: converged after 5 iterations. iteration 266: trace = 2.429171180459655 (1.30897e-05% change) linmin: converged after 3 iterations. iteration 267: trace = 2.429170653282296 (2.17019e-05% change) linmin: converged after 4 iterations. iteration 268: trace = 2.429170474423589 (7.36295e-06% change) linmin: converged after 5 iterations. iteration 269: trace = 2.429170118282513 (1.4661e-05% change) linmin: converged after 5 iterations. iteration 270: trace = 2.429169855682654 (1.08103e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.429169777459576 (3.22016e-06% change) linmin: converged after 2 iterations. iteration 272: trace = 2.429169659233357 (4.86694e-06% change) linmin: converged after 4 iterations. iteration 273: trace = 2.429169442190038 (8.93488e-06% change) linmin: converged after 3 iterations. iteration 274: trace = 2.429169326584295 (4.75906e-06% change) linmin: converged after 2 iterations. iteration 275: trace = 2.42916916712587 (6.56432e-06% change) linmin: converged after 3 iterations. iteration 276: trace = 2.429168993093772 (7.16426e-06% change) linmin: converged after 4 iterations. iteration 277: trace = 2.42916893922948 (2.2174e-06% change) large trace change predicted (7.51059e-06%) linmin: converged after 3 iterations. iteration 278: trace = 2.429168756769068 (7.51123e-06% change) linmin: converged after 3 iterations. iteration 279: trace = 2.429168637164431 (4.92369e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 280: trace = 2.429168586525589 (2.08462e-06% change) linmin: converged after 6 iterations. iteration 281: trace = 2.429168529088051 (2.36449e-06% change) large trace change predicted (4.91205e-06%) linmin: converged after 2 iterations. iteration 282: trace = 2.429168409761454 (4.91224e-06% change) linmin: converged after 3 iterations. iteration 283: trace = 2.429168352750321 (2.34694e-06% change) large trace change predicted (6.26223e-06%) linmin: converged after 12 iterations. iteration 284: trace = 2.429168200635051 (6.26203e-06% change) linmin: converged after 4 iterations. iteration 285: trace = 2.429168113553933 (3.58481e-06% change) linmin: converged after 2 iterations. iteration 286: trace = 2.429168000562393 (4.65145e-06% change) linmin: converged after 5 iterations. iteration 287: trace = 2.429167812726376 (7.73253e-06% change) linmin: converged after 5 iterations. iteration 288: trace = 2.429167759038007 (2.21015e-06% change) linmin: converged after 12 iterations. iteration 289: trace = 2.429167657170836 (4.1935e-06% change) linmin: converged after 4 iterations. iteration 290: trace = 2.429167461709971 (8.04641e-06% change) linmin: converged after 3 iterations. iteration 291: trace = 2.429167406488459 (2.27327e-06% change) large trace change predicted (1.1535e-05%) linmin: converged after 5 iterations. iteration 292: trace = 2.429167126381336 (1.1531e-05% change) linmin: converged after 21 iterations. iteration 293: trace = 2.429166987214956 (5.72898e-06% change) linmin: converged after 4 iterations. iteration 294: trace = 2.429166799892149 (7.7114e-06% change) linmin: converged after 4 iterations. iteration 295: trace = 2.429166586034469 (8.80375e-06% change) linmin: converged after 3 iterations. iteration 296: trace = 2.429166351853463 (9.64039e-06% change) linmin: converged after 3 iterations. iteration 297: trace = 2.429166298818697 (2.18325e-06% change) large trace change predicted (7.326e-06%) linmin: converged after 5 iterations. iteration 298: trace = 2.429166120892755 (7.32457e-06% change) linmin: converged after 4 iterations. iteration 299: trace = 2.429165990002275 (5.38829e-06% change) linmin: converged after 3 iterations. iteration 300: trace = 2.429165953506422 (1.5024e-06% change) large trace change predicted (3.73247e-06%) linmin: converged after 25 iterations. iteration 301: trace = 2.429165862839244 (3.73244e-06% change) linmin: converged after 3 iterations. iteration 302: trace = 2.429165837596827 (1.03914e-06% change) linmin: converged after 4 iterations. iteration 303: trace = 2.429165801092984 (1.50273e-06% change) large trace change predicted (3.09762e-06%) linmin: converged after 5 iterations. iteration 304: trace = 2.429165725847576 (3.09758e-06% change) linmin: converged after 11 iterations. iteration 305: trace = 2.429165713849505 (4.93917e-07% change) large trace change predicted (3.77336e-06%) linmin: converged after 3 iterations. iteration 306: trace = 2.429165622185398 (3.77348e-06% change) linmin: converged after 3 iterations. iteration 307: trace = 2.429165558314875 (2.62932e-06% change) linmin: converged after 2 iterations. iteration 308: trace = 2.429165521608635 (1.51106e-06% change) linmin: converged after 3 iterations. iteration 309: trace = 2.429165449161147 (2.9824e-06% change) linmin: converged after 6 iterations. iteration 310: trace = 2.429165314549961 (5.54146e-06% change) linmin: converged after 23 iterations. iteration 311: trace = 2.429165259600965 (2.26205e-06% change) large trace change predicted (5.16147e-06%) linmin: converged after 4 iterations. iteration 312: trace = 2.429165134182345 (5.16303e-06% change) linmin: converged after 3 iterations. iteration 313: trace = 2.429164978628469 (6.40359e-06% change) linmin: converged after 6 iterations. iteration 314: trace = 2.429164922049203 (2.32917e-06% change) large trace change predicted (5.91438e-06%) linmin: converged after 4 iterations. iteration 315: trace = 2.429164778314684 (5.91703e-06% change) linmin: converged after 3 iterations. iteration 316: trace = 2.429164702266393 (3.13064e-06% change) linmin: converged after 3 iterations. iteration 317: trace = 2.429164624215089 (3.21309e-06% change) linmin: converged after 6 iterations. iteration 318: trace = 2.429164527671341 (3.97436e-06% change) linmin: converged after 4 iterations. iteration 319: trace = 2.429164416813523 (4.56362e-06% change) linmin: converged after 4 iterations. iteration 320: trace = 2.429164366942787 (2.053e-06% change) linmin: converged after 12 iterations. iteration 321: trace = 2.42916428759961 (3.26627e-06% change) linmin: converged after 10 iterations. iteration 322: trace = 2.429164269183414 (7.58129e-07% change) large trace change predicted (1.84828e-06%) linmin: converged after 5 iterations. iteration 323: trace = 2.429164224282479 (1.84841e-06% change) linmin: converged after 5 iterations. iteration 324: trace = 2.429164173281699 (2.09952e-06% change) linmin: converged after 2 iterations. iteration 325: trace = 2.429164158889079 (5.92493e-07% change) linmin: converged after 21 iterations. iteration 326: trace = 2.429164132770957 (1.07519e-06% change) large trace change predicted (2.15853e-06%) linmin: converged after 5 iterations. iteration 327: trace = 2.429164080337379 (2.1585e-06% change) linmin: converged after 3 iterations. iteration 328: trace = 2.42916406184802 (7.61141e-07% change) large trace change predicted (2.55968e-06%) linmin: converged after 5 iterations. iteration 329: trace = 2.429163999668758 (2.5597e-06% change) linmin: converged after 4 iterations. iteration 330: trace = 2.429163947422188 (2.1508e-06% change) linmin: converged after 3 iterations. iteration 331: trace = 2.429163909892441 (1.54497e-06% change) large trace change predicted (6.15279e-06%) linmin: converged after 4 iterations. iteration 332: trace = 2.429163760438665 (6.15248e-06% change) linmin: converged after 3 iterations. iteration 333: trace = 2.429163614098085 (6.02432e-06% change) linmin: converged after 5 iterations. iteration 334: trace = 2.429163559134492 (2.26266e-06% change) large trace change predicted (7.00853e-06%) linmin: converged after 4 iterations. iteration 335: trace = 2.429163388895781 (7.00812e-06% change) linmin: converged after 4 iterations. iteration 336: trace = 2.429163278578895 (4.54135e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.429163224897875 (2.20986e-06% change) linmin: converged after 2 iterations. iteration 338: trace = 2.429163151438146 (3.02408e-06% change) linmin: converged after 3 iterations. iteration 339: trace = 2.429163092141848 (2.44102e-06% change) linmin: converged after 5 iterations. iteration 340: trace = 2.429163058876332 (1.36942e-06% change) large trace change predicted (3.15289e-06%) linmin: converged after 12 iterations. iteration 341: trace = 2.429162982292075 (3.1527e-06% change) linmin: converged after 3 iterations. iteration 342: trace = 2.429162970086958 (5.02441e-07% change) large trace change predicted (3.45051e-06%) linmin: converged after 3 iterations. iteration 343: trace = 2.429162886271227 (3.4504e-06% change) linmin: converged after 3 iterations. iteration 344: trace = 2.429162837155896 (2.0219e-06% change) linmin: converged after 7 iterations. iteration 345: trace = 2.429162817471302 (8.10345e-07% change) large trace change predicted (1.824e-06%) linmin: converged after 4 iterations. iteration 346: trace = 2.429162773163445 (1.824e-06% change) linmin: converged after 4 iterations. iteration 347: trace = 2.429162729879403 (1.78185e-06% change) linmin: converged after 4 iterations. iteration 348: trace = 2.429162711626334 (7.51414e-07% change) large trace change predicted (2.2783e-06%) linmin: converged after 4 iterations. iteration 349: trace = 2.429162656283895 (2.27825e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.429162613991908 (1.74101e-06% change) linmin: converged after 2 iterations. iteration 351: trace = 2.429162602607956 (4.68637e-07% change) large trace change predicted (1.66355e-06%) linmin: converged after 3 iterations. iteration 352: trace = 2.42916256219787 (1.66354e-06% change) linmin: converged after 7 iterations. iteration 353: trace = 2.429162527093203 (1.44513e-06% change) linmin: converged after 27 iterations. iteration 354: trace = 2.4291625110493 (6.60471e-07% change) large trace change predicted (1.87513e-06%) linmin: converged after 5 iterations. iteration 355: trace = 2.429162465498455 (1.87517e-06% change) linmin: converged after 6 iterations. iteration 356: trace = 2.429162423437087 (1.73152e-06% change) linmin: converged after 5 iterations. iteration 357: trace = 2.429162388252673 (1.44842e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.429162355549106 (1.34629e-06% change) linmin: converged after 20 iterations. iteration 359: trace = 2.429162331302815 (9.98134e-07% change) linmin: converged after 2 iterations. iteration 360: trace = 2.429162299550504 (1.30713e-06% change) linmin: converged after 5 iterations. iteration 361: trace = 2.429162241461395 (2.39132e-06% change) linmin: converged after 13 iterations. iteration 362: trace = 2.429162228083349 (5.50727e-07% change) large trace change predicted (2.92349e-06%) linmin: converged after 4 iterations. iteration 363: trace = 2.42916215706181 (2.92371e-06% change) linmin: converged after 2 iterations. iteration 364: trace = 2.42916206804674 (3.66444e-06% change) linmin: converged after 2 iterations. iteration 365: trace = 2.429162027195275 (1.68171e-06% change) linmin: converged after 2 iterations. iteration 366: trace = 2.42916196356391 (2.61948e-06% change) linmin: converged after 2 iterations. iteration 367: trace = 2.429161884082229 (3.27198e-06% change) linmin: converged after 22 iterations. iteration 368: trace = 2.429161864920578 (7.88817e-07% change) large trace change predicted (1.91315e-06%) linmin: converged after 2 iterations. iteration 369: trace = 2.429161818445764 (1.9132e-06% change) linmin: converged after 8 iterations. iteration 370: trace = 2.429161787828217 (1.26042e-06% change) linmin: converged after 4 iterations. iteration 371: trace = 2.429161780840506 (2.87659e-07% change) linmin: converged after 2 iterations. iteration 372: trace = 2.429161767629566 (5.43848e-07% change) linmin: converged after 4 iterations. iteration 373: trace = 2.429161748864296 (7.725e-07% change) linmin: converged after 22 iterations. iteration 374: trace = 2.429161744087031 (1.96663e-07% change) large trace change predicted (1.17868e-06%) linmin: converged after 6 iterations. iteration 375: trace = 2.429161715456656 (1.17861e-06% change) linmin: converged after 4 iterations. iteration 376: trace = 2.429161708895383 (2.70104e-07% change) large trace change predicted (8.02389e-07%) linmin: converged after 3 iterations. iteration 377: trace = 2.429161689404883 (8.02355e-07% change) linmin: converged after 21 iterations. iteration 378: trace = 2.429161660656955 (1.18345e-06% change) linmin: converged after 16 iterations. iteration 379: trace = 2.429161651391771 (3.81415e-07% change) large trace change predicted (1.11182e-06%) linmin: converged after 5 iterations. iteration 380: trace = 2.42916162438851 (1.11163e-06% change) linmin: converged after 11 iterations. iteration 381: trace = 2.429161580673326 (1.7996e-06% change) linmin: converged after 5 iterations. iteration 382: trace = 2.429161572023886 (3.56067e-07% change) large trace change predicted (2.26814e-06%) linmin: converged after 4 iterations. iteration 383: trace = 2.429161516938225 (2.26768e-06% change) linmin: converged after 4 iterations. iteration 384: trace = 2.42916147619024 (1.67745e-06% change) linmin: converged after 10 iterations. iteration 385: trace = 2.429161460981527 (6.26089e-07% change) large trace change predicted (1.53154e-06%) linmin: converged after 19 iterations. iteration 386: trace = 2.429161423779499 (1.53148e-06% change) linmin: converged after 6 iterations. iteration 387: trace = 2.429161371680703 (2.14472e-06% change) linmin: converged after 5 iterations. iteration 388: trace = 2.429161361121039 (4.34704e-07% change) large trace change predicted (1.81658e-06%) linmin: converged after 6 iterations. iteration 389: trace = 2.429161316998533 (1.81637e-06% change) linmin: converged after 6 iterations. iteration 390: trace = 2.429161292221935 (1.01997e-06% change) linmin: converged after 5 iterations. iteration 391: trace = 2.429161285067065 (2.94541e-07% change) large trace change predicted (9.94534e-07%) linmin: converged after 14 iterations. iteration 392: trace = 2.429161260909431 (9.94485e-07% change) linmin: converged after 3 iterations. iteration 393: trace = 2.429161249640962 (4.63883e-07% change) linmin: converged after 5 iterations. iteration 394: trace = 2.429161241588388 (3.31496e-07% change) linmin: converged after 4 iterations. iteration 395: trace = 2.429161226123877 (6.36619e-07% change) linmin: converged after 2 iterations. iteration 396: trace = 2.429161211722783 (5.92842e-07% change) linmin: converged after 4 iterations. iteration 397: trace = 2.429161205807196 (2.43524e-07% change) large trace change predicted (8.31944e-07%) linmin: converged after 7 iterations. iteration 398: trace = 2.429161185597418 (8.31965e-07% change) linmin: converged after 3 iterations. iteration 399: trace = 2.429161180775666 (1.98495e-07% change) large trace change predicted (9.37319e-07%) linmin: converged after 7 iterations. iteration 400: trace = 2.429161158006312 (9.37334e-07% change) linmin: converged after 2 iterations. iteration 401: trace = 2.429161123924128 (1.40304e-06% change) linmin: converged after 5 iterations. iteration 402: trace = 2.429161113229481 (4.40261e-07% change) large trace change predicted (1.53093e-06%) linmin: converged after 6 iterations. iteration 403: trace = 2.429161076038251 (1.53103e-06% change) linmin: converged after 4 iterations. iteration 404: trace = 2.429161031295974 (1.84188e-06% change) linmin: converged after 4 iterations. iteration 405: trace = 2.429161019451196 (4.87608e-07% change) large trace change predicted (2.29713e-06%) linmin: converged after 5 iterations. iteration 406: trace = 2.429160963638509 (2.29761e-06% change) linmin: converged after 9 iterations. iteration 407: trace = 2.429160941421447 (9.14598e-07% change) linmin: converged after 3 iterations. iteration 408: trace = 2.429160921244752 (8.30603e-07% change) linmin: converged after 4 iterations. iteration 409: trace = 2.429160896161357 (1.0326e-06% change) linmin: converged after 3 iterations. iteration 410: trace = 2.429160884289914 (4.88706e-07% change) linmin: converged after 3 iterations. iteration 411: trace = 2.429160866670421 (7.25333e-07% change) linmin: converged after 3 iterations. iteration 412: trace = 2.429160838940365 (1.14155e-06% change) linmin: converged after 3 iterations. iteration 413: trace = 2.429160833457787 (2.25698e-07% change) large trace change predicted (5.81631e-07%) linmin: converged after 7 iterations. iteration 414: trace = 2.429160819328932 (5.81635e-07% change) linmin: converged after 4 iterations. iteration 415: trace = 2.429160800706827 (7.66607e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.429160790746622 (4.10027e-07% change) linmin: converged after 6 iterations. iteration 417: trace = 2.429160785385611 (2.20694e-07% change) large trace change predicted (5.06104e-07%) linmin: converged after 13 iterations. iteration 418: trace = 2.429160773091428 (5.06108e-07% change) linmin: converged after 5 iterations. iteration 419: trace = 2.429160767128034 (2.45492e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.429160761730822 (2.22184e-07% change) linmin: converged after 6 iterations. iteration 421: trace = 2.429160751061223 (4.3923e-07% change) linmin: converged after 5 iterations. iteration 422: trace = 2.429160747059114 (1.64753e-07% change) large trace change predicted (4.36075e-07%) linmin: converged after 4 iterations. iteration 423: trace = 2.429160736466042 (4.36079e-07% change) linmin: converged after 4 iterations. iteration 424: trace = 2.429160720666212 (6.50423e-07% change) linmin: converged after 2 iterations. iteration 425: trace = 2.429160714473307 (2.5494e-07% change) linmin: converged after 3 iterations. iteration 426: trace = 2.429160703319814 (4.5915e-07% change) linmin: converged after 11 iterations. iteration 427: trace = 2.429160683113254 (8.31833e-07% change) linmin: converged after 6 iterations. iteration 428: trace = 2.429160678684532 (1.82315e-07% change) large trace change predicted (7.93421e-07%) linmin: converged after 4 iterations. iteration 429: trace = 2.429160659412587 (7.93358e-07% change) linmin: converged after 7 iterations. iteration 430: trace = 2.429160649811041 (3.95262e-07% change) linmin: converged after 7 iterations. iteration 431: trace = 2.429160637784559 (4.95088e-07% change) large trace change predicted (1.04771e-06%) linmin: converged after 10 iterations. iteration 432: trace = 2.429160612337561 (1.04756e-06% change) linmin: converged after 5 iterations. iteration 433: trace = 2.429160594384491 (7.39065e-07% change) linmin: converged after 6 iterations. iteration 434: trace = 2.429160576226376 (7.47506e-07% change) linmin: converged after 19 iterations. iteration 435: trace = 2.429160548739168 (1.13155e-06% change) linmin: converged after 3 iterations. iteration 436: trace = 2.429160537984534 (4.4273e-07% change) linmin: converged after 19 iterations. iteration 437: trace = 2.429160525904693 (4.97285e-07% change) linmin: converged after 3 iterations. iteration 438: trace = 2.429160507378112 (7.62674e-07% change) linmin: converged after 3 iterations. iteration 439: trace = 2.42916050125219 (2.52183e-07% change) linmin: converged after 17 iterations. iteration 440: trace = 2.429160494820492 (2.6477e-07% change) linmin: converged after 36 iterations. iteration 441: trace = 2.429160485733353 (3.74086e-07% change) linmin: converged after 11 iterations. iteration 442: trace = 2.429160483938158 (7.39018e-08% change) large trace change predicted (3.37251e-07%) linmin: converged after 4 iterations. iteration 443: trace = 2.429160475745805 (3.3725e-07% change) linmin: converged after 7 iterations. iteration 444: trace = 2.429160472268578 (1.43145e-07% change) linmin: converged after 12 iterations. iteration 445: trace = 2.429160469544291 (1.12149e-07% change) large trace change predicted (3.55789e-07%) linmin: converged after 7 iterations. iteration 446: trace = 2.429160460901578 (3.5579e-07% change) linmin: converged after 10 iterations. iteration 447: trace = 2.429160452030138 (3.65206e-07% change) linmin: converged after 4 iterations. iteration 448: trace = 2.429160447830058 (1.72903e-07% change) large trace change predicted (4.69593e-07%) linmin: converged after 9 iterations. iteration 449: trace = 2.42916043642226 (4.69619e-07% change) linmin: converged after 4 iterations. iteration 450: trace = 2.429160425291557 (4.58212e-07% change) linmin: converged after 29 iterations. iteration 451: trace = 2.429160416695749 (3.53859e-07% change) large trace change predicted (8.1297e-07%) linmin: converged after 18 iterations. iteration 452: trace = 2.429160396945067 (8.13066e-07% change) linmin: converged after 12 iterations. iteration 453: trace = 2.429160391333104 (2.31025e-07% change) linmin: converged after 7 iterations. iteration 454: trace = 2.429160380315691 (4.53548e-07% change) linmin: converged after 3 iterations. iteration 455: trace = 2.429160366598926 (5.64671e-07% change) linmin: converged after 3 iterations. iteration 456: trace = 2.429160363207357 (1.39619e-07% change) large trace change predicted (6.28969e-07%) linmin: converged after 6 iterations. iteration 457: trace = 2.429160347926842 (6.29045e-07% change) linmin: converged after 4 iterations. iteration 458: trace = 2.429160338707389 (3.79533e-07% change) linmin: converged after 5 iterations. iteration 459: trace = 2.429160333707519 (2.05827e-07% change) linmin: converged after 6 iterations. iteration 460: trace = 2.429160326464035 (2.98189e-07% change) linmin: converged after 7 iterations. iteration 461: trace = 2.429160318845335 (3.13635e-07% change) linmin: converged after 7 iterations. iteration 462: trace = 2.429160316844734 (8.23577e-08% change) large trace change predicted (2.05827e-07%) linmin: converged after 20 iterations. iteration 463: trace = 2.429160311844684 (2.05835e-07% change) linmin: converged after 9 iterations. iteration 464: trace = 2.429160306218167 (2.31624e-07% change) linmin: converged after 26 iterations. iteration 465: trace = 2.429160303920874 (9.45715e-08% change) linmin: converged after 14 iterations. iteration 466: trace = 2.429160299400193 (1.86101e-07% change) linmin: converged after 3 iterations. iteration 467: trace = 2.429160297099675 (9.47042e-08% change) linmin: converged after 6 iterations. iteration 468: trace = 2.429160295075319 (8.33356e-08% change) large trace change predicted (3.37556e-07%) linmin: converged after 25 iterations. iteration 469: trace = 2.429160286875715 (3.37549e-07% change) linmin: converged after 3 iterations. iteration 470: trace = 2.429160284639876 (9.20417e-08% change) large trace change predicted (4.6706e-07%) linmin: converged after 5 iterations. iteration 471: trace = 2.429160273294618 (4.67044e-07% change) linmin: converged after 18 iterations. iteration 472: trace = 2.429160258846459 (5.9478e-07% change) linmin: converged after 4 iterations. iteration 473: trace = 2.429160254117309 (1.94683e-07% change) large trace change predicted (6.20648e-07%) linmin: converged after 4 iterations. iteration 474: trace = 2.429160239041676 (6.20611e-07% change) linmin: converged after 4 iterations. iteration 475: trace = 2.429160225546444 (5.55551e-07% change) linmin: converged after 4 iterations. iteration 476: trace = 2.429160220372157 (2.13007e-07% change) large trace change predicted (4.67719e-07%) linmin: converged after 4 iterations. iteration 477: trace = 2.429160209011019 (4.67698e-07% change) linmin: converged after 7 iterations. iteration 478: trace = 2.429160204744496 (1.75638e-07% change) linmin: converged after 19 iterations. iteration 479: trace = 2.42916019829463 (2.65518e-07% change) linmin: converged after 4 iterations. iteration 480: trace = 2.429160191105082 (2.95968e-07% change) linmin: converged after 17 iterations. iteration 481: trace = 2.429160187781108 (1.36836e-07% change) linmin: converged after 21 iterations. iteration 482: trace = 2.429160185227583 (1.0512e-07% change) large trace change predicted (3.57675e-07%) linmin: converged after 4 iterations. iteration 483: trace = 2.42916017653923 (3.57669e-07% change) linmin: converged after 2 iterations. iteration 484: trace = 2.429160174986166 (6.39342e-08% change) large trace change predicted (2.34844e-07%) linmin: converged after 4 iterations. iteration 485: trace = 2.429160169281495 (2.34841e-07% change) linmin: converged after 7 iterations. iteration 486: trace = 2.429160164608207 (1.92383e-07% change) linmin: converged after 13 iterations. iteration 487: trace = 2.429160162001947 (1.07291e-07% change) linmin: converged after 3 iterations. iteration 488: trace = 2.42916015914398 (1.17652e-07% change) linmin: converged after 5 iterations. iteration 489: trace = 2.429160153989909 (2.12175e-07% change) resetting CG direction... linmin: converged after 14 iterations. iteration 490: trace = 2.42916015068172 (1.36187e-07% change) linmin: converged after 2 iterations. iteration 491: trace = 2.429160148724941 (8.05537e-08% change) large trace change predicted (1.7653e-07%) linmin: converged after 4 iterations. iteration 492: trace = 2.429160144436767 (1.76529e-07% change) linmin: converged after 4 iterations. iteration 493: trace = 2.429160143016935 (5.84495e-08% change) large trace change predicted (1.40065e-07%) linmin: converged after 2 iterations. iteration 494: trace = 2.429160139614505 (1.40066e-07% change) linmin: converged after 10 iterations. iteration 495: trace = 2.429160134588835 (2.06889e-07% change) linmin: converged after 2 iterations. iteration 496: trace = 2.429160133234078 (5.57706e-08% change) large trace change predicted (2.76951e-07%) linmin: converged after 3 iterations. iteration 497: trace = 2.429160126506392 (2.76955e-07% change) linmin: converged after 3 iterations. iteration 498: trace = 2.429160124047785 (1.01212e-07% change) linmin: converged after 3 iterations. iteration 499: trace = 2.429160121760928 (9.41419e-08% change) large trace change predicted (2.12366e-07%) linmin: converged after 6 iterations. iteration 500: trace = 2.4291601166021 (2.12371e-07% change) linmin: converged after 11 iterations. iteration 501: trace = 2.429160114256528 (9.6559e-08% change) large trace change predicted (2.34272e-07%) linmin: converged after 17 iterations. iteration 502: trace = 2.429160108565584 (2.34276e-07% change) linmin: converged after 26 iterations. iteration 503: trace = 2.429160102180347 (2.62858e-07% change) linmin: converged after 2 iterations. iteration 504: trace = 2.42916009892127 (1.34165e-07% change) large trace change predicted (3.76773e-07%) linmin: converged after 8 iterations. iteration 505: trace = 2.429160089768632 (3.76782e-07% change) linmin: converged after 6 iterations. iteration 506: trace = 2.429160082603727 (2.94954e-07% change) linmin: converged after 6 iterations. iteration 507: trace = 2.429160079480998 (1.28552e-07% change) large trace change predicted (3.38271e-07%) linmin: converged after 7 iterations. iteration 508: trace = 2.42916007126367 (3.38279e-07% change) linmin: converged after 14 iterations. iteration 509: trace = 2.429160065866998 (2.22162e-07% change) linmin: converged after 3 iterations. iteration 510: trace = 2.429160065018005 (3.495e-08% change) large trace change predicted (1.36368e-07%) linmin: converged after 5 iterations. iteration 511: trace = 2.429160061705387 (1.36369e-07% change) linmin: converged after 4 iterations. iteration 512: trace = 2.429160060522575 (4.86922e-08% change) linmin: converged after 3 iterations. iteration 513: trace = 2.429160059894206 (2.58677e-08% change) large trace change predicted (9.95688e-08%) linmin: converged after 24 iterations. iteration 514: trace = 2.429160057475547 (9.95677e-08% change) linmin: converged after 8 iterations. iteration 515: trace = 2.429160054935368 (1.0457e-07% change) linmin: converged after 17 iterations. iteration 516: trace = 2.429160053828544 (4.5564e-08% change) linmin: converged after 15 iterations. iteration 517: trace = 2.429160051641836 (9.00191e-08% change) linmin: converged after 11 iterations. iteration 518: trace = 2.429160049856017 (7.35159e-08% change) linmin: converged after 18 iterations. iteration 519: trace = 2.429160047446894 (9.91751e-08% change) linmin: converged after 5 iterations. iteration 520: trace = 2.429160044197757 (1.33756e-07% change) linmin: converged after 14 iterations. iteration 521: trace = 2.429160040561456 (1.49694e-07% change) linmin: converged after 7 iterations. iteration 522: trace = 2.429160038525767 (8.38022e-08% change) large trace change predicted (2.30125e-07%) linmin: converged after 4 iterations. iteration 523: trace = 2.429160032936073 (2.30108e-07% change) linmin: converged after 9 iterations. iteration 524: trace = 2.429160031747269 (4.89389e-08% change) large trace change predicted (1.84044e-07%) linmin: converged after 7 iterations. iteration 525: trace = 2.429160027276732 (1.84036e-07% change) linmin: converged after 5 iterations. iteration 526: trace = 2.429160022837277 (1.82757e-07% change) linmin: converged after 8 iterations. iteration 527: trace = 2.42916001936196 (1.43067e-07% change) linmin: converged after 3 iterations. iteration 528: trace = 2.429160015746441 (1.48838e-07% change) linmin: converged after 3 iterations. iteration 529: trace = 2.429160011097224 (1.91392e-07% change) linmin: converged after 6 iterations. iteration 530: trace = 2.429160008604136 (1.02632e-07% change) linmin: converged after 4 iterations. iteration 531: trace = 2.42916000760265 (4.12276e-08% change) large trace change predicted (1.0296e-07%) linmin: converged after 6 iterations. iteration 532: trace = 2.429160005101618 (1.02959e-07% change) linmin: converged after 8 iterations. iteration 533: trace = 2.429160004120185 (4.04021e-08% change) linmin: converged after 4 iterations. iteration 534: trace = 2.429160003047914 (4.41416e-08% change) linmin: converged after 20 iterations. iteration 535: trace = 2.429160001127784 (7.9045e-08% change) linmin: converged after 13 iterations. iteration 536: trace = 2.429160000697979 (1.76936e-08% change) large trace change predicted (7.29644e-08%) linmin: converged after 21 iterations. iteration 537: trace = 2.429159998925554 (7.29645e-08% change) linmin: converged after 2 iterations. iteration 538: trace = 2.429159996983777 (7.99361e-08% change) linmin: converged after 4 iterations. iteration 539: trace = 2.429159996199606 (3.22816e-08% change) large trace change predicted (9.10869e-08%) linmin: converged after 8 iterations. iteration 540: trace = 2.429159993986953 (9.10872e-08% change) linmin: converged after 12 iterations. iteration 541: trace = 2.429159991140685 (1.17171e-07% change) linmin: converged after 5 iterations. iteration 542: trace = 2.429159989244635 (7.80537e-08% change) linmin: converged after 11 iterations. iteration 543: trace = 2.429159985465629 (1.55568e-07% change) linmin: converged after 7 iterations. iteration 544: trace = 2.429159981664947 (1.56461e-07% change) linmin: converged after 6 iterations. iteration 545: trace = 2.429159979619319 (8.42113e-08% change) large trace change predicted (2.23852e-07%) linmin: converged after 6 iterations. iteration 546: trace = 2.429159974181317 (2.23863e-07% change) linmin: converged after 5 iterations. iteration 547: trace = 2.429159971981864 (9.05438e-08% change) linmin: converged after 17 iterations. iteration 548: trace = 2.429159969920124 (8.48746e-08% change) linmin: converged after 7 iterations. iteration 549: trace = 2.429159966896908 (1.24455e-07% change) linmin: converged after 4 iterations. iteration 550: trace = 2.429159965838739 (4.35611e-08% change) large trace change predicted (9.46401e-08%) linmin: converged after 14 iterations. iteration 551: trace = 2.429159963539758 (9.4641e-08% change) linmin: converged after 7 iterations. iteration 552: trace = 2.42915996071968 (1.16093e-07% change) linmin: converged after 38 iterations. iteration 553: trace = 2.429159960152147 (2.33634e-08% change) large trace change predicted (6.65585e-08%) linmin: converged after 13 iterations. iteration 554: trace = 2.42915995853532 (6.65591e-08% change) linmin: converged after 9 iterations. iteration 555: trace = 2.429159956794352 (7.16696e-08% change) linmin: converged after 13 iterations. iteration 556: trace = 2.429159956282001 (2.10917e-08% change) large trace change predicted (5.33764e-08%) linmin: converged after 4 iterations. iteration 557: trace = 2.4291599549854 (5.33765e-08% change) linmin: converged after 4 iterations. iteration 558: trace = 2.429159953723791 (5.1936e-08% change) linmin: converged after 8 iterations. iteration 559: trace = 2.429159953134325 (2.42662e-08% change) resetting CG direction... linmin: converged after 2 iterations. iteration 560: trace = 2.429159952571809 (2.31568e-08% change) large trace change predicted (4.7185e-08%) linmin: converged after 19 iterations. iteration 561: trace = 2.429159951425611 (4.71849e-08% change) linmin: converged after 3 iterations. iteration 562: trace = 2.429159950552197 (3.59554e-08% change) linmin: converged after 4 iterations. iteration 563: trace = 2.429159949887993 (2.7343e-08% change) large trace change predicted (6.96083e-08%) linmin: converged after 6 iterations. iteration 564: trace = 2.429159948197114 (6.96076e-08% change) linmin: converged after 9 iterations. iteration 565: trace = 2.429159947172534 (4.21784e-08% change) linmin: converged after 4 iterations. iteration 566: trace = 2.429159946325099 (3.48859e-08% change) large trace change predicted (9.65274e-08%) linmin: converged after 4 iterations. iteration 567: trace = 2.429159943980356 (9.65248e-08% change) linmin: converged after 26 iterations. iteration 568: trace = 2.429159943121351 (3.53623e-08% change) linmin: converged after 11 iterations. iteration 569: trace = 2.429159941554127 (6.45171e-08% change) linmin: converged after 20 iterations. iteration 570: trace = 2.42915993996455 (6.54373e-08% change) linmin: converged after 7 iterations. iteration 571: trace = 2.429159939061346 (3.71817e-08% change) large trace change predicted (1.08358e-07%) linmin: converged after 4 iterations. iteration 572: trace = 2.429159936429209 (1.08356e-07% change) linmin: converged after 5 iterations. iteration 573: trace = 2.429159933323122 (1.27867e-07% change) linmin: converged after 8 iterations. iteration 574: trace = 2.429159932584859 (3.03917e-08% change) large trace change predicted (1.12553e-07%) linmin: converged after 4 iterations. iteration 575: trace = 2.429159929850874 (1.12549e-07% change) linmin: converged after 4 iterations. iteration 576: trace = 2.429159927927658 (7.91721e-08% change) linmin: converged after 13 iterations. iteration 577: trace = 2.429159927284207 (2.64886e-08% change) large trace change predicted (7.93466e-08%) linmin: converged after 10 iterations. iteration 578: trace = 2.429159925356766 (7.9346e-08% change) linmin: converged after 4 iterations. iteration 579: trace = 2.429159924124885 (5.07122e-08% change) linmin: converged after 6 iterations. iteration 580: trace = 2.42915992386094 (1.08657e-08% change) large trace change predicted (4.5939e-08%) linmin: converged after 4 iterations. iteration 581: trace = 2.429159922745013 (4.59388e-08% change) linmin: converged after 4 iterations. iteration 582: trace = 2.429159922341934 (1.65933e-08% change) linmin: converged after 20 iterations. iteration 583: trace = 2.429159921976785 (1.50319e-08% change) linmin: converged after 4 iterations. iteration 584: trace = 2.429159921439501 (2.21181e-08% change) linmin: converged after 13 iterations. iteration 585: trace = 2.429159920507203 (3.83794e-08% change) linmin: converged after 11 iterations. iteration 586: trace = 2.429159920193081 (1.29313e-08% change) large trace change predicted (4.93286e-08%) linmin: converged after 4 iterations. iteration 587: trace = 2.4291599189948 (4.9329e-08% change) linmin: converged after 19 iterations. iteration 588: trace = 2.429159918556289 (1.8052e-08% change) large trace change predicted (4.32843e-08%) linmin: converged after 3 iterations. iteration 589: trace = 2.429159917504847 (4.32842e-08% change) linmin: converged after 7 iterations. iteration 590: trace = 2.429159915691645 (7.46432e-08% change) linmin: converged after 9 iterations. iteration 591: trace = 2.429159914566911 (4.63013e-08% change) linmin: converged after 4 iterations. iteration 592: trace = 2.429159913760922 (3.31798e-08% change) large trace change predicted (7.94738e-08%) linmin: converged after 7 iterations. iteration 593: trace = 2.429159911830325 (7.94759e-08% change) linmin: converged after 9 iterations. iteration 594: trace = 2.429159910385772 (5.94672e-08% change) linmin: converged after 6 iterations. iteration 595: trace = 2.429159909819552 (2.33093e-08% change) large trace change predicted (7.39828e-08%) linmin: converged after 4 iterations. iteration 596: trace = 2.429159908022331 (7.39853e-08% change) linmin: converged after 4 iterations. iteration 597: trace = 2.42915990726127 (3.13302e-08% change) linmin: converged after 4 iterations. iteration 598: trace = 2.429159906749609 (2.10633e-08% change) large trace change predicted (5.00334e-08%) linmin: converged after 6 iterations. iteration 599: trace = 2.429159905534207 (5.00339e-08% change) linmin: converged after 11 iterations. iteration 600: trace = 2.429159904949666 (2.40635e-08% change) linmin: converged after 13 iterations. iteration 601: trace = 2.429159904353425 (2.45451e-08% change) linmin: converged after 8 iterations. iteration 602: trace = 2.429159903744632 (2.50619e-08% change) linmin: converged after 4 iterations. iteration 603: trace = 2.429159903491014 (1.04406e-08% change) large trace change predicted (2.62416e-08%) linmin: converged after 4 iterations. iteration 604: trace = 2.429159902853563 (2.62416e-08% change) linmin: converged after 4 iterations. iteration 605: trace = 2.429159902412185 (1.817e-08% change) linmin: converged after 4 iterations. iteration 606: trace = 2.429159902241098 (7.04304e-09% change) linmin: converged after 4 iterations. iteration 607: trace = 2.429159901921327 (1.31639e-08% change) large trace change predicted (3.01826e-08%) linmin: converged after 3 iterations. iteration 608: trace = 2.429159901188148 (3.01824e-08% change) linmin: converged after 21 iterations. iteration 609: trace = 2.429159900934555 (1.04395e-08% change) large trace change predicted (5.02658e-08%) linmin: converged after 10 iterations. iteration 610: trace = 2.42915989971354 (5.02649e-08% change) linmin: converged after 6 iterations. iteration 611: trace = 2.429159898770638 (3.8816e-08% change) linmin: converged after 6 iterations. iteration 612: trace = 2.4291598978836 (3.65162e-08% change) linmin: converged after 4 iterations. iteration 613: trace = 2.429159896193728 (6.95661e-08% change) linmin: converged after 4 iterations. iteration 614: trace = 2.42915989529643 (3.69386e-08% change) linmin: converged after 4 iterations. iteration 615: trace = 2.429159894296323 (4.11709e-08% change) linmin: converged after 8 iterations. iteration 616: trace = 2.429159892914396 (5.68891e-08% change) linmin: converged after 7 iterations. iteration 617: trace = 2.429159891854684 (4.36246e-08% change) linmin: converged after 30 iterations. iteration 618: trace = 2.429159891663529 (7.86917e-09% change) large trace change predicted (3.16915e-08%) linmin: converged after 4 iterations. iteration 619: trace = 2.429159890893695 (3.16914e-08% change) linmin: converged after 3 iterations. iteration 620: trace = 2.42915989048548 (1.68048e-08% change) linmin: converged after 4 iterations. iteration 621: trace = 2.42915989024981 (9.70173e-09% change) large trace change predicted (3.9761e-08%) linmin: converged after 4 iterations. iteration 622: trace = 2.429159889283959 (3.97607e-08% change) linmin: converged after 4 iterations. iteration 623: trace = 2.429159889086665 (8.12189e-09% change) large trace change predicted (2.17799e-08%) linmin: converged after 4 iterations. iteration 624: trace = 2.429159888557596 (2.17799e-08% change) linmin: converged after 4 iterations. iteration 625: trace = 2.429159888068817 (2.01213e-08% change) linmin: converged after 23 iterations. iteration 626: trace = 2.429159887907204 (6.65302e-09% change) large trace change predicted (1.92845e-08%) linmin: converged after 6 iterations. iteration 627: trace = 2.429159887438756 (1.92844e-08% change) linmin: converged after 3 iterations. iteration 628: trace = 2.429159887109841 (1.35403e-08% change) linmin: converged after 18 iterations. iteration 629: trace = 2.429159886803315 (1.26186e-08% change) resetting CG direction... linmin: converged after 7 iterations. iteration 630: trace = 2.429159886516523 (1.18062e-08% change) linmin: converged after 28 iterations. iteration 631: trace = 2.429159886235557 (1.15664e-08% change) linmin: converged after 13 iterations. iteration 632: trace = 2.429159885799418 (1.79543e-08% change) linmin: converged after 6 iterations. iteration 633: trace = 2.429159885657463 (5.84377e-09% change) large trace change predicted (1.67249e-08%) linmin: converged after 4 iterations. iteration 634: trace = 2.429159885251187 (1.6725e-08% change) linmin: converged after 24 iterations. iteration 635: trace = 2.429159884763517 (2.00757e-08% change) linmin: converged after 35 iterations. iteration 636: trace = 2.429159884586815 (7.27423e-09% change) large trace change predicted (3.12183e-08%) linmin: converged after 8 iterations. iteration 637: trace = 2.429159883828468 (3.12185e-08% change) linmin: converged after 5 iterations. iteration 638: trace = 2.429159883588577 (9.8755e-09% change) linmin: converged after 2 iterations. iteration 639: trace = 2.42915988327515 (1.29027e-08% change) linmin: converged after 4 iterations. iteration 640: trace = 2.429159882723734 (2.26999e-08% change) linmin: converged after 4 iterations. iteration 641: trace = 2.429159882584189 (5.74457e-09% change) large trace change predicted (3.20339e-08%) linmin: converged after 6 iterations. iteration 642: trace = 2.429159881806024 (3.20343e-08% change) linmin: converged after 15 iterations. iteration 643: trace = 2.429159881007589 (3.28688e-08% change) linmin: converged after 4 iterations. iteration 644: trace = 2.429159880286976 (2.96651e-08% change) linmin: converged after 4 iterations. iteration 645: trace = 2.429159879796439 (2.01937e-08% change) linmin: converged after 4 iterations. iteration 646: trace = 2.429159878899058 (3.6942e-08% change) linmin: converged after 6 iterations. iteration 647: trace = 2.429159878333623 (2.3277e-08% change) linmin: converged after 7 iterations. iteration 648: trace = 2.429159877841172 (2.02725e-08% change) linmin: converged after 4 iterations. iteration 649: trace = 2.429159877201121 (2.63486e-08% change) linmin: converged after 6 iterations. iteration 650: trace = 2.429159877053884 (6.06123e-09% change) large trace change predicted (1.43264e-08%) linmin: converged after 11 iterations. iteration 651: trace = 2.42915987670587 (1.43265e-08% change) linmin: converged after 6 iterations. iteration 652: trace = 2.429159876553681 (6.26508e-09% change) linmin: converged after 16 iterations. iteration 653: trace = 2.429159876414798 (5.71733e-09% change) linmin: converged after 21 iterations. iteration 654: trace = 2.429159876266536 (6.10344e-09% change) large trace change predicted (1.25284e-08%) linmin: converged after 17 iterations. iteration 655: trace = 2.429159875962198 (1.25285e-08% change) linmin: converged after 3 iterations. iteration 656: trace = 2.429159875880573 (3.36021e-09% change) large trace change predicted (1.09782e-08%) linmin: converged after 20 iterations. iteration 657: trace = 2.429159875613892 (1.09783e-08% change) linmin: converged after 4 iterations. iteration 658: trace = 2.429159875201081 (1.6994e-08% change) linmin: converged after 12 iterations. iteration 659: trace = 2.429159875094139 (4.40243e-09% change) large trace change predicted (1.97583e-08%) linmin: converged after 15 iterations. iteration 660: trace = 2.429159874614184 (1.97581e-08% change) linmin: converged after 4 iterations. iteration 661: trace = 2.429159874209945 (1.66411e-08% change) linmin: converged after 4 iterations. iteration 662: trace = 2.429159874047392 (6.69172e-09% change) large trace change predicted (2.53661e-08%) linmin: converged after 16 iterations. iteration 663: trace = 2.42915987343122 (2.53657e-08% change) linmin: converged after 8 iterations. iteration 664: trace = 2.429159873006463 (1.74858e-08% change) linmin: converged after 4 iterations. iteration 665: trace = 2.429159872766963 (9.85936e-09% change) large trace change predicted (2.45628e-08%) linmin: converged after 6 iterations. iteration 666: trace = 2.429159872170301 (2.45625e-08% change) linmin: converged after 9 iterations. iteration 667: trace = 2.429159871717377 (1.86453e-08% change) linmin: converged after 16 iterations. iteration 668: trace = 2.429159871573481 (5.92368e-09% change) large trace change predicted (2.05452e-08%) linmin: converged after 4 iterations. iteration 669: trace = 2.429159871074413 (2.05449e-08% change) linmin: converged after 4 iterations. iteration 670: trace = 2.429159870746559 (1.34966e-08% change) linmin: converged after 5 iterations. iteration 671: trace = 2.429159870654894 (3.77352e-09% change) large trace change predicted (1.2183e-08%) linmin: converged after 18 iterations. iteration 672: trace = 2.429159870358954 (1.21828e-08% change) linmin: converged after 4 iterations. iteration 673: trace = 2.429159870219468 (5.74214e-09% change) linmin: converged after 4 iterations. iteration 674: trace = 2.429159870095124 (5.11881e-09% change) linmin: converged after 22 iterations. iteration 675: trace = 2.429159869970966 (5.11115e-09% change) linmin: converged after 7 iterations. iteration 676: trace = 2.429159869822754 (6.10137e-09% change) linmin: converged after 21 iterations. iteration 677: trace = 2.429159869750012 (2.99453e-09% change) large trace change predicted (1.08948e-08%) linmin: converged after 5 iterations. iteration 678: trace = 2.42915986948536 (1.08948e-08% change) linmin: converged after 4 iterations. iteration 679: trace = 2.429159869415227 (2.88712e-09% change) large trace change predicted (1.08244e-08%) linmin: converged after 5 iterations. iteration 680: trace = 2.429159869152288 (1.08243e-08% change) linmin: converged after 5 iterations. iteration 681: trace = 2.42915986874399 (1.68082e-08% change) linmin: converged after 15 iterations. iteration 682: trace = 2.429159868612734 (5.40336e-09% change) large trace change predicted (1.53423e-08%) linmin: converged after 4 iterations. iteration 683: trace = 2.429159868240041 (1.53425e-08% change) linmin: converged after 4 iterations. iteration 684: trace = 2.42915986771628 (2.15614e-08% change) linmin: converged after 5 iterations. iteration 685: trace = 2.429159867393871 (1.32725e-08% change) linmin: converged after 14 iterations. iteration 686: trace = 2.429159867063534 (1.35988e-08% change) linmin: converged after 14 iterations. iteration 687: trace = 2.429159866654141 (1.68533e-08% change) linmin: converged after 4 iterations. iteration 688: trace = 2.429159866334846 (1.31443e-08% change) linmin: converged after 16 iterations. iteration 689: trace = 2.429159866247288 (3.60447e-09% change) large trace change predicted (1.28657e-08%) linmin: converged after 12 iterations. iteration 690: trace = 2.429159865934752 (1.2866e-08% change) linmin: converged after 10 iterations. iteration 691: trace = 2.429159865753986 (7.44151e-09% change) linmin: converged after 4 iterations. iteration 692: trace = 2.42915986557417 (7.4024e-09% change) linmin: converged after 4 iterations. iteration 693: trace = 2.429159865372123 (8.31758e-09% change) linmin: converged after 28 iterations. iteration 694: trace = 2.429159865307811 (2.6475e-09% change) large trace change predicted (8.19539e-09%) linmin: converged after 5 iterations. iteration 695: trace = 2.429159865108736 (8.1952e-09% change) linmin: converged after 3 iterations. iteration 696: trace = 2.429159864960958 (6.08349e-09% change) linmin: converged after 5 iterations. iteration 697: trace = 2.429159864897563 (2.60977e-09% change) linmin: converged after 5 iterations. iteration 698: trace = 2.429159864812386 (3.50641e-09% change) large trace change predicted (1.46587e-08%) linmin: converged after 4 iterations. iteration 699: trace = 2.429159864456306 (1.46586e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 700: trace = 2.429159864202219 (1.04599e-08% change) linmin: converged after 5 iterations. iteration 701: trace = 2.4291598640604 (5.83819e-09% change) linmin: converged after 11 iterations. iteration 702: trace = 2.429159864006546 (2.21697e-09% change) linmin: converged after 24 iterations. iteration 703: trace = 2.429159863943587 (2.59178e-09% change) large trace change predicted (1.00155e-08%) linmin: converged after 5 iterations. iteration 704: trace = 2.429159863700292 (1.00156e-08% change) linmin: converged after 4 iterations. iteration 705: trace = 2.429159863658671 (1.71337e-09% change) large trace change predicted (6.0226e-09%) linmin: converged after 22 iterations. iteration 706: trace = 2.429159863512372 (6.02262e-09% change) linmin: converged after 10 iterations. iteration 707: trace = 2.429159863339089 (7.13346e-09% change) linmin: converged after 4 iterations. iteration 708: trace = 2.429159863261345 (3.20045e-09% change) large trace change predicted (7.21487e-09%) linmin: converged after 4 iterations. iteration 709: trace = 2.429159863086086 (7.2148e-09% change) linmin: converged after 5 iterations. iteration 710: trace = 2.429159862952868 (5.48411e-09% change) linmin: converged after 6 iterations. iteration 711: trace = 2.429159862831282 (5.00526e-09% change) large trace change predicted (1.5224e-08%) linmin: converged after 10 iterations. iteration 712: trace = 2.42915986246147 (1.52239e-08% change) linmin: converged after 7 iterations. iteration 713: trace = 2.429159862307271 (6.34785e-09% change) linmin: converged after 9 iterations. iteration 714: trace = 2.429159862050749 (1.05601e-08% change) linmin: converged after 4 iterations. iteration 715: trace = 2.429159861767021 (1.16801e-08% change) linmin: converged after 13 iterations. iteration 716: trace = 2.429159861670484 (3.97409e-09% change) linmin: converged after 4 iterations. iteration 717: trace = 2.429159861493229 (7.29693e-09% change) linmin: converged after 24 iterations. iteration 718: trace = 2.429159861289222 (8.39825e-09% change) linmin: converged after 13 iterations. iteration 719: trace = 2.429159861200369 (3.6578e-09% change) linmin: converged after 6 iterations. iteration 720: trace = 2.429159861122443 (3.20791e-09% change) linmin: converged after 7 iterations. iteration 721: trace = 2.429159861009683 (4.64195e-09% change) linmin: converged after 6 iterations. iteration 722: trace = 2.429159860973771 (1.47836e-09% change) linmin: converged after 4 iterations. iteration 723: trace = 2.429159860914272 (2.44937e-09% change) linmin: converged after 5 iterations. iteration 724: trace = 2.429159860867284 (1.93436e-09% change) linmin: converged after 3 iterations. iteration 725: trace = 2.429159860807268 (2.47061e-09% change) linmin: converged after 5 iterations. iteration 726: trace = 2.429159860759699 (1.95827e-09% change) large trace change predicted (5.92536e-09%) linmin: converged after 9 iterations. iteration 727: trace = 2.429159860615759 (5.92552e-09% change) linmin: converged after 4 iterations. iteration 728: trace = 2.429159860586929 (1.1868e-09% change) large trace change predicted (5.58292e-09%) linmin: converged after 8 iterations. iteration 729: trace = 2.429159860451312 (5.58289e-09% change) linmin: converged after 23 iterations. iteration 730: trace = 2.429159860293473 (6.49766e-09% change) linmin: converged after 18 iterations. iteration 731: trace = 2.429159860236901 (2.32889e-09% change) large trace change predicted (6.87534e-09%) linmin: converged after 6 iterations. iteration 732: trace = 2.429159860069887 (6.87538e-09% change) linmin: converged after 4 iterations. iteration 733: trace = 2.429159859881662 (7.74856e-09% change) linmin: converged after 20 iterations. iteration 734: trace = 2.429159859682838 (8.18489e-09% change) linmin: converged after 9 iterations. iteration 735: trace = 2.429159859623644 (2.43679e-09% change) large trace change predicted (7.40617e-09%) linmin: converged after 4 iterations. iteration 736: trace = 2.429159859443737 (7.40613e-09% change) linmin: converged after 16 iterations. iteration 737: trace = 2.429159859366251 (3.18983e-09% change) linmin: converged after 4 iterations. iteration 738: trace = 2.429159859314239 (2.14118e-09% change) large trace change predicted (5.33917e-09%) linmin: converged after 24 iterations. iteration 739: trace = 2.429159859184537 (5.33936e-09% change) linmin: converged after 15 iterations. iteration 740: trace = 2.429159859130579 (2.22129e-09% change) linmin: converged after 2 iterations. iteration 741: trace = 2.429159859047293 (3.42859e-09% change) linmin: converged after 30 iterations. iteration 742: trace = 2.429159858975631 (2.95005e-09% change) linmin: converged after 13 iterations. iteration 743: trace = 2.429159858953444 (9.13367e-10% change) large trace change predicted (2.40747e-09%) linmin: converged after 22 iterations. iteration 744: trace = 2.429159858894967 (2.40728e-09% change) linmin: converged after 3 iterations. iteration 745: trace = 2.429159858850257 (1.84057e-09% change) linmin: converged after 20 iterations. iteration 746: trace = 2.429159858819683 (1.25861e-09% change) linmin: converged after 4 iterations. iteration 747: trace = 2.429159858796599 (9.50314e-10% change) large trace change predicted (3.24334e-09%) linmin: converged after 5 iterations. iteration 748: trace = 2.429159858717816 (3.24321e-09% change) linmin: converged after 6 iterations. iteration 749: trace = 2.429159858690223 (1.13591e-09% change) large trace change predicted (4.49385e-09%) linmin: converged after 4 iterations. iteration 750: trace = 2.429159858581053 (4.49413e-09% change) linmin: converged after 4 iterations. iteration 751: trace = 2.429159858464813 (4.78519e-09% change) linmin: converged after 11 iterations. iteration 752: trace = 2.429159858396788 (2.80037e-09% change) large trace change predicted (7.02979e-09%) linmin: converged after 5 iterations. iteration 753: trace = 2.429159858226024 (7.02973e-09% change) linmin: converged after 6 iterations. iteration 754: trace = 2.429159858093345 (5.46196e-09% change) linmin: converged after 4 iterations. iteration 755: trace = 2.429159858011751 (3.35891e-09% change) linmin: converged after 7 iterations. iteration 756: trace = 2.429159857855928 (6.41468e-09% change) linmin: converged after 5 iterations. iteration 757: trace = 2.429159857728973 (5.22632e-09% change) linmin: converged after 3 iterations. iteration 758: trace = 2.429159857701546 (1.12907e-09% change) linmin: converged after 5 iterations. iteration 759: trace = 2.429159857650501 (2.10134e-09% change) linmin: converged after 4 iterations. iteration 760: trace = 2.429159857580554 (2.87946e-09% change) linmin: converged after 18 iterations. iteration 761: trace = 2.429159857546963 (1.38282e-09% change) large trace change predicted (2.78622e-09%) linmin: converged after 21 iterations. iteration 762: trace = 2.429159857479282 (2.78619e-09% change) linmin: converged after 10 iterations. iteration 763: trace = 2.429159857413328 (2.71511e-09% change) linmin: converged after 3 iterations. iteration 764: trace = 2.429159857392938 (8.39381e-10% change) large trace change predicted (1.97136e-09%) linmin: converged after 8 iterations. iteration 765: trace = 2.429159857345049 (1.97143e-09% change) linmin: converged after 16 iterations. iteration 766: trace = 2.429159857285349 (2.45763e-09% change) linmin: converged after 18 iterations. iteration 767: trace = 2.429159857270117 (6.27022e-10% change) large trace change predicted (1.68433e-09%) linmin: converged after 4 iterations. iteration 768: trace = 2.429159857229199 (1.68448e-09% change) large trace change predicted (4.56751e-09%) linmin: converged after 4 iterations. iteration 769: trace = 2.429159857118245 (4.56757e-09% change) resetting CG direction... linmin: converged after 21 iterations. iteration 770: trace = 2.429159857040617 (3.19566e-09% change) linmin: converged after 3 iterations. iteration 771: trace = 2.429159856988487 (2.14604e-09% change) linmin: converged after 22 iterations. iteration 772: trace = 2.429159856974038 (5.9481e-10% change) large trace change predicted (1.42343e-09%) linmin: converged after 17 iterations. iteration 773: trace = 2.429159856939461 (1.42339e-09% change) linmin: converged after 4 iterations. iteration 774: trace = 2.429159856878469 (2.51083e-09% change) linmin: converged after 19 iterations. iteration 775: trace = 2.429159856861229 (7.09728e-10% change) large trace change predicted (1.58111e-09%) linmin: converged after 6 iterations. iteration 776: trace = 2.429159856822821 (1.58114e-09% change) linmin: converged after 20 iterations. iteration 777: trace = 2.429159856756268 (2.73973e-09% change) linmin: converged after 9 iterations. iteration 778: trace = 2.429159856743182 (5.38722e-10% change) large trace change predicted (2.82586e-09%) linmin: converged after 23 iterations. iteration 779: trace = 2.429159856674533 (2.82601e-09% change) linmin: converged after 22 iterations. iteration 780: trace = 2.429159856641976 (1.34026e-09% change) linmin: converged after 3 iterations. iteration 781: trace = 2.429159856624656 (7.13019e-10% change) large trace change predicted (3.04944e-09%) linmin: converged after 4 iterations. iteration 782: trace = 2.429159856550582 (3.04937e-09% change) linmin: converged after 24 iterations. iteration 783: trace = 2.42915985645881 (3.77793e-09% change) linmin: converged after 7 iterations. iteration 784: trace = 2.429159856424315 (1.42002e-09% change) large trace change predicted (3.75284e-09%) linmin: converged after 7 iterations. iteration 785: trace = 2.429159856333154 (3.75279e-09% change) linmin: converged after 25 iterations. iteration 786: trace = 2.429159856233216 (4.11409e-09% change) linmin: converged after 11 iterations. iteration 787: trace = 2.429159856201789 (1.29375e-09% change) large trace change predicted (3.00169e-09%) linmin: converged after 5 iterations. iteration 788: trace = 2.429159856128876 (3.00156e-09% change) linmin: converged after 4 iterations. iteration 789: trace = 2.429159856080556 (1.98917e-09% change) linmin: converged after 15 iterations. iteration 790: trace = 2.429159856068748 (4.86089e-10% change) large trace change predicted (1.59192e-09%) linmin: converged after 4 iterations. iteration 791: trace = 2.429159856030076 (1.59202e-09% change) linmin: converged after 4 iterations. iteration 792: trace = 2.429159856007021 (9.49071e-10% change) linmin: converged after 15 iterations. iteration 793: trace = 2.429159855998764 (3.3991e-10% change) linmin: converged after 3 iterations. iteration 794: trace = 2.429159855983901 (6.11867e-10% change) linmin: converged after 15 iterations. iteration 795: trace = 2.429159855954617 (1.20553e-09% change) linmin: converged after 20 iterations. iteration 796: trace = 2.429159855948903 (2.35211e-10% change) large trace change predicted (1.54388e-09%) linmin: converged after 6 iterations. iteration 797: trace = 2.429159855911403 (1.54375e-09% change) linmin: converged after 6 iterations. iteration 798: trace = 2.429159855881495 (1.23119e-09% change) linmin: converged after 3 iterations. iteration 799: trace = 2.429159855869966 (4.74609e-10% change) large trace change predicted (1.98665e-09%) linmin: converged after 27 iterations. iteration 800: trace = 2.429159855821708 (1.98661e-09% change) linmin: converged after 16 iterations. iteration 801: trace = 2.42915985579 (1.30532e-09% change) linmin: converged after 6 iterations. iteration 802: trace = 2.42915985577462 (6.33147e-10% change) large trace change predicted (2.74992e-09%) linmin: converged after 4 iterations. iteration 803: trace = 2.429159855707815 (2.75014e-09% change) linmin: converged after 8 iterations. iteration 804: trace = 2.429159855651749 (2.30803e-09% change) linmin: converged after 12 iterations. iteration 805: trace = 2.429159855621198 (1.25768e-09% change) linmin: converged after 3 iterations. iteration 806: trace = 2.429159855562192 (2.42906e-09% change) linmin: converged after 17 iterations. iteration 807: trace = 2.429159855514358 (1.96917e-09% change) linmin: converged after 3 iterations. iteration 808: trace = 2.42915985548194 (1.33454e-09% change) linmin: converged after 4 iterations. iteration 809: trace = 2.429159855455781 (1.07686e-09% change) linmin: converged after 4 iterations. iteration 810: trace = 2.429159855418316 (1.54231e-09% change) linmin: converged after 5 iterations. iteration 811: trace = 2.429159855401394 (6.96639e-10% change) linmin: converged after 12 iterations. iteration 812: trace = 2.429159855381519 (8.18156e-10% change) linmin: converged after 16 iterations. iteration 813: trace = 2.429159855354918 (1.09507e-09% change) linmin: converged after 4 iterations. iteration 814: trace = 2.429159855349877 (2.07551e-10% change) large trace change predicted (5.02949e-10%) linmin: converged after 4 iterations. iteration 815: trace = 2.42915985533766 (5.02927e-10% change) linmin: converged after 6 iterations. iteration 816: trace = 2.429159855321982 (6.45377e-10% change) linmin: converged after 12 iterations. iteration 817: trace = 2.429159855317656 (1.78099e-10% change) large trace change predicted (8.90227e-10%) linmin: converged after 4 iterations. iteration 818: trace = 2.429159855296028 (8.90369e-10% change) linmin: converged after 5 iterations. iteration 819: trace = 2.429159855285489 (4.33859e-10% change) large trace change predicted (1.17084e-09%) linmin: converged after 4 iterations. iteration 820: trace = 2.429159855257047 (1.17083e-09% change) linmin: converged after 2 iterations. iteration 821: trace = 2.429159855223319 (1.38847e-09% change) linmin: converged after 6 iterations. iteration 822: trace = 2.429159855176985 (1.90743e-09% change) linmin: converged after 3 iterations. iteration 823: trace = 2.42915985516224 (6.07004e-10% change) large trace change predicted (1.88161e-09%) linmin: converged after 4 iterations. iteration 824: trace = 2.429159855116533 (1.8816e-09% change) linmin: converged after 4 iterations. iteration 825: trace = 2.429159855057998 (2.40968e-09% change) linmin: converged after 18 iterations. iteration 826: trace = 2.429159855048627 (3.85742e-10% change) large trace change predicted (2.22689e-09%) linmin: converged after 4 iterations. iteration 827: trace = 2.429159854994534 (2.22683e-09% change) linmin: converged after 18 iterations. iteration 828: trace = 2.429159854976327 (7.49509e-10% change) linmin: converged after 18 iterations. iteration 829: trace = 2.429159854961404 (6.14335e-10% change) linmin: converged after 12 iterations. iteration 830: trace = 2.429159854934805 (1.09499e-09% change) linmin: converged after 4 iterations. iteration 831: trace = 2.429159854908639 (1.07715e-09% change) linmin: converged after 8 iterations. iteration 832: trace = 2.429159854901438 (2.96436e-10% change) large trace change predicted (1.02143e-09%) linmin: converged after 6 iterations. iteration 833: trace = 2.42915985487663 (1.02128e-09% change) linmin: converged after 9 iterations. iteration 834: trace = 2.429159854862083 (5.98832e-10% change) linmin: converged after 17 iterations. iteration 835: trace = 2.429159854852273 (4.03859e-10% change) linmin: converged after 10 iterations. iteration 836: trace = 2.429159854833481 (7.73604e-10% change) linmin: converged after 17 iterations. iteration 837: trace = 2.42915985482455 (3.67643e-10% change) linmin: converged after 4 iterations. iteration 838: trace = 2.429159854818451 (2.51098e-10% change) large trace change predicted (1.5156e-09%) linmin: converged after 15 iterations. iteration 839: trace = 2.429159854781636 (1.51553e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 840: trace = 2.429159854758164 (9.66274e-10% change) linmin: converged after 4 iterations. iteration 841: trace = 2.429159854743052 (6.22104e-10% change) linmin: converged after 12 iterations. iteration 842: trace = 2.429159854733941 (3.75047e-10% change) linmin: converged after 16 iterations. iteration 843: trace = 2.429159854729475 (1.83876e-10% change) large trace change predicted (5.93133e-10%) linmin: converged after 12 iterations. iteration 844: trace = 2.429159854715062 (5.93311e-10% change) linmin: converged after 13 iterations. iteration 845: trace = 2.429159854698839 (6.67845e-10% change) linmin: converged after 5 iterations. iteration 846: trace = 2.4291598546891 (4.00915e-10% change) linmin: converged after 8 iterations. iteration 847: trace = 2.429159854673089 (6.59125e-10% change) linmin: converged after 4 iterations. iteration 848: trace = 2.429159854653723 (7.97224e-10% change) linmin: converged after 4 iterations. iteration 849: trace = 2.429159854648228 (2.26198e-10% change) large trace change predicted (8.48452e-10%) linmin: converged after 32 iterations. iteration 850: trace = 2.429159854627615 (8.48577e-10% change) linmin: converged after 8 iterations. iteration 851: trace = 2.42915985461107 (6.81099e-10% change) linmin: converged after 3 iterations. iteration 852: trace = 2.429159854604918 (2.53273e-10% change) large trace change predicted (1.45762e-09%) linmin: converged after 8 iterations. iteration 853: trace = 2.429159854569512 (1.45752e-09% change) linmin: converged after 4 iterations. iteration 854: trace = 2.429159854540976 (1.17474e-09% change) linmin: converged after 18 iterations. iteration 855: trace = 2.429159854529127 (4.8779e-10% change) large trace change predicted (1.01551e-09%) linmin: converged after 4 iterations. iteration 856: trace = 2.429159854504458 (1.01552e-09% change) linmin: converged after 17 iterations. iteration 857: trace = 2.42915985448146 (9.46767e-10% change) linmin: converged after 6 iterations. iteration 858: trace = 2.429159854472639 (3.63109e-10% change) linmin: converged after 9 iterations. iteration 859: trace = 2.429159854457438 (6.25797e-10% change) linmin: converged after 11 iterations. iteration 860: trace = 2.429159854443602 (5.69545e-10% change) linmin: converged after 9 iterations. iteration 861: trace = 2.429159854439337 (1.75595e-10% change) large trace change predicted (4.00109e-10%) linmin: converged after 4 iterations. iteration 862: trace = 2.429159854429622 (3.9991e-10% change) linmin: converged after 4 iterations. iteration 863: trace = 2.429159854427227 (9.85927e-11% change) Finished solving for bands 1 to 10 after 863 iterations. tmfreqs:, 9, 0.166667, 0.166667, 0, 0.235702, 0.162353, 0.295874, 0.356214, 0.372161, 0.504258, 0.506735, 0.537355, 0.633231, 0.645916, 0.65717 elapsed time for k point: 17.31135106086731 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.433380193690218 (3.19205% change) linmin: converged after 4 iterations. iteration 2: trace = 2.422814038112432 (0.435162% change) linmin: converged after 4 iterations. iteration 3: trace = 2.410436546521247 (0.512181% change) linmin: converged after 3 iterations. iteration 4: trace = 2.404737543186032 (0.23671% change) linmin: converged after 3 iterations. iteration 5: trace = 2.402921502395091 (0.0755478% change) linmin: converged after 3 iterations. iteration 6: trace = 2.401560417275882 (0.056659% change) linmin: converged after 4 iterations. iteration 7: trace = 2.40127366865593 (0.0119408% change) large trace change predicted (0.0255597%) linmin: converged after 4 iterations. iteration 8: trace = 2.400660490901845 (0.0255388% change) linmin: converged after 3 iterations. iteration 9: trace = 2.40039428111389 (0.0110896% change) linmin: converged after 4 iterations. iteration 10: trace = 2.400303594637588 (0.00377805% change) linmin: converged after 3 iterations. iteration 11: trace = 2.400130222618757 (0.00722318% change) linmin: converged after 5 iterations. iteration 12: trace = 2.400008461341142 (0.00507324% change) linmin: converged after 4 iterations. iteration 13: trace = 2.399912652520242 (0.0039921% change) large trace change predicted (0.0102646%) linmin: converged after 4 iterations. iteration 14: trace = 2.399666188371935 (0.0102702% change) linmin: converged after 3 iterations. iteration 15: trace = 2.399556931509369 (0.00455311% change) linmin: converged after 4 iterations. iteration 16: trace = 2.399371948614947 (0.00770934% change) linmin: converged after 3 iterations. iteration 17: trace = 2.399289134019836 (0.00345157% change) large trace change predicted (0.00782288%) linmin: converged after 4 iterations. iteration 18: trace = 2.399101412329507 (0.00782436% change) linmin: converged after 4 iterations. iteration 19: trace = 2.398879612511266 (0.00924555% change) linmin: converged after 3 iterations. iteration 20: trace = 2.398649930817861 (0.009575% change) large trace change predicted (0.0239463%) linmin: converged after 4 iterations. iteration 21: trace = 2.398075305935582 (0.023959% change) linmin: converged after 3 iterations. iteration 22: trace = 2.397887154831012 (0.00784623% change) linmin: converged after 4 iterations. iteration 23: trace = 2.397522335251174 (0.0152154% change) linmin: converged after 5 iterations. iteration 24: trace = 2.397281838037528 (0.0100316% change) linmin: converged after 4 iterations. iteration 25: trace = 2.396981301701774 (0.0125373% change) linmin: converged after 4 iterations. iteration 26: trace = 2.396715675349404 (0.0110823% change) linmin: converged after 5 iterations. iteration 27: trace = 2.396618653474215 (0.0040482% change) large trace change predicted (0.00900803%) linmin: converged after 3 iterations. iteration 28: trace = 2.396402882027202 (0.00900357% change) linmin: converged after 17 iterations. iteration 29: trace = 2.39634920475391 (0.00223994% change) linmin: converged after 4 iterations. iteration 30: trace = 2.39625647011842 (0.0038699% change) linmin: converged after 4 iterations. iteration 31: trace = 2.396207670919612 (0.0020365% change) linmin: converged after 4 iterations. iteration 32: trace = 2.396167678729189 (0.00166899% change) large trace change predicted (0.00396832%) linmin: converged after 4 iterations. iteration 33: trace = 2.39607259825986 (0.0039681% change) linmin: converged after 4 iterations. iteration 34: trace = 2.39603880205545 (0.00141049% change) large trace change predicted (0.00652638%) linmin: converged after 4 iterations. iteration 35: trace = 2.395882482330539 (0.0065243% change) linmin: converged after 4 iterations. iteration 36: trace = 2.395832681944739 (0.0020786% change) large trace change predicted (0.00897527%) linmin: converged after 5 iterations. iteration 37: trace = 2.39561766058466 (0.00897521% change) linmin: converged after 4 iterations. iteration 38: trace = 2.39553390569927 (0.00349623% change) large trace change predicted (0.0070503%) linmin: converged after 4 iterations. iteration 39: trace = 2.395364971331098 (0.0070523% change) linmin: converged after 4 iterations. iteration 40: trace = 2.395255803589621 (0.00455756% change) linmin: converged after 11 iterations. iteration 41: trace = 2.395086682963417 (0.0070609% change) linmin: converged after 7 iterations. iteration 42: trace = 2.395028248730251 (0.00243978% change) large trace change predicted (0.00633055%) linmin: converged after 4 iterations. iteration 43: trace = 2.39487657265989 (0.00633316% change) linmin: converged after 3 iterations. iteration 44: trace = 2.394823808868155 (0.00220322% change) large trace change predicted (0.00784731%) linmin: converged after 4 iterations. iteration 45: trace = 2.394635867526548 (0.00784812% change) linmin: converged after 4 iterations. iteration 46: trace = 2.394551743414565 (0.00351308% change) large trace change predicted (0.00730719%) linmin: converged after 4 iterations. iteration 47: trace = 2.394376638861433 (0.00731289% change) linmin: converged after 5 iterations. iteration 48: trace = 2.394320475232387 (0.00234567% change) large trace change predicted (0.00692663%) linmin: converged after 4 iterations. iteration 49: trace = 2.394154599651126 (0.00692812% change) linmin: converged after 4 iterations. iteration 50: trace = 2.394120849861353 (0.00140968% change) linmin: converged after 4 iterations. iteration 51: trace = 2.394082504763732 (0.00160165% change) linmin: converged after 4 iterations. iteration 52: trace = 2.394061929963654 (0.000859406% change) linmin: converged after 3 iterations. iteration 53: trace = 2.394035899045205 (0.00108732% change) linmin: converged after 4 iterations. iteration 54: trace = 2.394025524533696 (0.000433349% change) large trace change predicted (0.00106241%) linmin: converged after 4 iterations. iteration 55: trace = 2.394000081103065 (0.00106279% change) linmin: converged after 3 iterations. iteration 56: trace = 2.393990108359909 (0.000416573% change) large trace change predicted (0.0014697%) linmin: converged after 4 iterations. iteration 57: trace = 2.393954926681425 (0.00146959% change) linmin: converged after 4 iterations. iteration 58: trace = 2.393941236492362 (0.000571867% change) large trace change predicted (0.00230761%) linmin: converged after 4 iterations. iteration 59: trace = 2.393885991437063 (0.00230773% change) linmin: converged after 3 iterations. iteration 60: trace = 2.393857322594757 (0.00119759% change) large trace change predicted (0.00352965%) linmin: converged after 17 iterations. iteration 61: trace = 2.39377288783068 (0.0035272% change) linmin: converged after 6 iterations. iteration 62: trace = 2.393671194266724 (0.00424834% change) linmin: converged after 4 iterations. iteration 63: trace = 2.393605526436713 (0.00274343% change) linmin: converged after 4 iterations. iteration 64: trace = 2.393488253663952 (0.00489954% change) linmin: converged after 4 iterations. iteration 65: trace = 2.393448318021408 (0.00166853% change) linmin: converged after 3 iterations. iteration 66: trace = 2.393405559874071 (0.00178648% change) linmin: converged after 4 iterations. iteration 67: trace = 2.393388171656334 (0.000726508% change) linmin: converged after 4 iterations. iteration 68: trace = 2.393359871009446 (0.00118246% change) linmin: converged after 3 iterations. iteration 69: trace = 2.393348546333253 (0.000473172% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.393343888143677 (0.000194631% change) linmin: converged after 7 iterations. iteration 71: trace = 2.393336408785892 (0.000312507% change) linmin: converged after 4 iterations. iteration 72: trace = 2.393333640405914 (0.00011567% change) linmin: converged after 7 iterations. iteration 73: trace = 2.393329204369882 (0.00018535% change) large trace change predicted (0.000415226%) linmin: converged after 4 iterations. iteration 74: trace = 2.393319266380651 (0.000415238% change) linmin: converged after 5 iterations. iteration 75: trace = 2.393316024744885 (0.000135445% change) large trace change predicted (0.000440415%) linmin: converged after 2 iterations. iteration 76: trace = 2.393305484095431 (0.000440421% change) linmin: converged after 2 iterations. iteration 77: trace = 2.393296852043547 (0.000360676% change) linmin: converged after 4 iterations. iteration 78: trace = 2.393291519453637 (0.000222814% change) linmin: converged after 4 iterations. iteration 79: trace = 2.393281224250889 (0.00043017% change) linmin: converged after 4 iterations. iteration 80: trace = 2.393276914611329 (0.000180073% change) large trace change predicted (0.000404147%) linmin: converged after 4 iterations. iteration 81: trace = 2.393267238436939 (0.000404307% change) linmin: converged after 4 iterations. iteration 82: trace = 2.393257540996038 (0.000405198% change) large trace change predicted (0.000860363%) linmin: converged after 5 iterations. iteration 83: trace = 2.393236952544772 (0.000860273% change) linmin: converged after 3 iterations. iteration 84: trace = 2.393229690783603 (0.000303429% change) large trace change predicted (0.00100987%) linmin: converged after 4 iterations. iteration 85: trace = 2.393205516433398 (0.00101012% change) linmin: converged after 5 iterations. iteration 86: trace = 2.393198655817365 (0.000286671% change) large trace change predicted (0.000595708%) linmin: converged after 5 iterations. iteration 87: trace = 2.393184401299572 (0.000595628% change) linmin: converged after 5 iterations. iteration 88: trace = 2.393180219588389 (0.000174734% change) linmin: converged after 4 iterations. iteration 89: trace = 2.393172916547639 (0.000305161% change) linmin: converged after 5 iterations. iteration 90: trace = 2.393169657448579 (0.000136183% change) linmin: converged after 3 iterations. iteration 91: trace = 2.393167404556216 (9.41385e-05% change) linmin: converged after 4 iterations. iteration 92: trace = 2.393163730462211 (0.000153524% change) linmin: converged after 4 iterations. iteration 93: trace = 2.393162881316243 (3.54822e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 2.393161291854444 (6.64168e-05% change) linmin: converged after 4 iterations. iteration 95: trace = 2.393159527554889 (7.37226e-05% change) linmin: converged after 4 iterations. iteration 96: trace = 2.393158716111194 (3.39068e-05% change) large trace change predicted (8.54127e-05%) linmin: converged after 6 iterations. iteration 97: trace = 2.393156672081695 (8.54114e-05% change) linmin: converged after 4 iterations. iteration 98: trace = 2.393155264313613 (5.88248e-05% change) linmin: converged after 4 iterations. iteration 99: trace = 2.39315428265648 (4.10194e-05% change) large trace change predicted (0.000111116%) linmin: converged after 4 iterations. iteration 100: trace = 2.393151623227751 (0.000111127% change) linmin: converged after 3 iterations. iteration 101: trace = 2.393149968564306 (6.91416e-05% change) linmin: converged after 3 iterations. iteration 102: trace = 2.393149029310973 (3.92476e-05% change) large trace change predicted (0.000107155%) linmin: converged after 9 iterations. iteration 103: trace = 2.393146465168152 (0.000107145% change) linmin: converged after 3 iterations. iteration 104: trace = 2.393144088313489 (9.93193e-05% change) linmin: converged after 5 iterations. iteration 105: trace = 2.393143090647087 (4.16885e-05% change) linmin: converged after 4 iterations. iteration 106: trace = 2.393141220369592 (7.81515e-05% change) linmin: converged after 4 iterations. iteration 107: trace = 2.393138480527718 (0.000114487% change) linmin: converged after 3 iterations. iteration 108: trace = 2.393137214271852 (5.29119e-05% change) linmin: converged after 3 iterations. iteration 109: trace = 2.393135732565425 (6.19148e-05% change) large trace change predicted (0.000132037%) linmin: converged after 5 iterations. iteration 110: trace = 2.393132573007365 (0.000132026% change) linmin: converged after 5 iterations. iteration 111: trace = 2.393130602089809 (8.23573e-05% change) linmin: converged after 4 iterations. iteration 112: trace = 2.393129636103429 (4.0365e-05% change) large trace change predicted (8.12982e-05%) linmin: converged after 4 iterations. iteration 113: trace = 2.39312769048018 (8.13004e-05% change) linmin: converged after 4 iterations. iteration 114: trace = 2.393124454462521 (0.000135221% change) linmin: converged after 2 iterations. iteration 115: trace = 2.393122695900592 (7.3484e-05% change) linmin: converged after 14 iterations. iteration 116: trace = 2.393121205950363 (6.22597e-05% change) large trace change predicted (0.000148111%) linmin: converged after 3 iterations. iteration 117: trace = 2.393117661592305 (0.000148106% change) linmin: converged after 7 iterations. iteration 118: trace = 2.393113811902371 (0.000160865% change) linmin: converged after 4 iterations. iteration 119: trace = 2.393112176646787 (6.83317e-05% change) linmin: converged after 3 iterations. iteration 120: trace = 2.393110536695833 (6.8528e-05% change) large trace change predicted (0.000144448%) linmin: converged after 4 iterations. iteration 121: trace = 2.393107079629967 (0.000144459% change) linmin: converged after 4 iterations. iteration 122: trace = 2.393104293210631 (0.000116435% change) linmin: converged after 5 iterations. iteration 123: trace = 2.393103038747125 (5.24199e-05% change) linmin: converged after 5 iterations. iteration 124: trace = 2.393101324240464 (7.16437e-05% change) linmin: converged after 3 iterations. iteration 125: trace = 2.393098283852026 (0.000127048% change) linmin: converged after 3 iterations. iteration 126: trace = 2.393096523927129 (7.35417e-05% change) linmin: converged after 3 iterations. iteration 127: trace = 2.39309563752325 (3.704e-05% change) linmin: converged after 4 iterations. iteration 128: trace = 2.393094049284147 (6.63676e-05% change) linmin: converged after 4 iterations. iteration 129: trace = 2.393091815305785 (9.33511e-05% change) linmin: converged after 4 iterations. iteration 130: trace = 2.393090859736845 (3.99303e-05% change) linmin: converged after 5 iterations. iteration 131: trace = 2.39309030718204 (2.30896e-05% change) linmin: converged after 3 iterations. iteration 132: trace = 2.393089265540039 (4.35271e-05% change) linmin: converged after 6 iterations. iteration 133: trace = 2.393088306593286 (4.00715e-05% change) linmin: converged after 3 iterations. iteration 134: trace = 2.39308798658278 (1.33723e-05% change) linmin: converged after 3 iterations. iteration 135: trace = 2.393087729381291 (1.07477e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 2.393087262235277 (1.95206e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 2.393086948332358 (1.31171e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 2.393086771718756 (7.38016e-06% change) large trace change predicted (1.663e-05%) linmin: converged after 2 iterations. iteration 139: trace = 2.393086373741746 (1.66303e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.393085865147467 (2.12527e-05% change) linmin: converged after 3 iterations. iteration 141: trace = 2.39308541980371 (1.86096e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.393084574409604 (3.53265e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.393083874805071 (2.92344e-05% change) large trace change predicted (9.30915e-05%) linmin: converged after 2 iterations. iteration 144: trace = 2.393081646897439 (9.30978e-05% change) linmin: converged after 3 iterations. iteration 145: trace = 2.3930809462422 (2.92784e-05% change) large trace change predicted (9.82085e-05%) linmin: converged after 3 iterations. iteration 146: trace = 2.393078595811136 (9.82178e-05% change) linmin: converged after 3 iterations. iteration 147: trace = 2.393076567385285 (8.47622e-05% change) linmin: converged after 4 iterations. iteration 148: trace = 2.393075848390748 (3.00448e-05% change) large trace change predicted (8.08856e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.393073912861255 (8.08804e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 2.393072950683679 (4.02068e-05% change) linmin: converged after 4 iterations. iteration 151: trace = 2.393072277021358 (2.81505e-05% change) large trace change predicted (5.87995e-05%) linmin: converged after 4 iterations. iteration 152: trace = 2.393070869782842 (5.88047e-05% change) linmin: converged after 2 iterations. iteration 153: trace = 2.393070470831082 (1.66711e-05% change) large trace change predicted (4.49611e-05%) linmin: converged after 27 iterations. iteration 154: trace = 2.393069394880175 (4.49611e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 2.393069119836735 (1.14933e-05% change) large trace change predicted (2.97702e-05%) linmin: converged after 2 iterations. iteration 156: trace = 2.393068407415016 (2.97702e-05% change) linmin: converged after 4 iterations. iteration 157: trace = 2.393067882757422 (2.19241e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 2.393067614727763 (1.12003e-05% change) large trace change predicted (2.86195e-05%) linmin: converged after 3 iterations. iteration 159: trace = 2.393066929859406 (2.86189e-05% change) linmin: converged after 2 iterations. iteration 160: trace = 2.393066771543818 (6.61559e-06% change) large trace change predicted (2.54891e-05%) linmin: converged after 3 iterations. iteration 161: trace = 2.393066161593691 (2.54882e-05% change) linmin: converged after 3 iterations. iteration 162: trace = 2.393065961178246 (8.37484e-06% change) large trace change predicted (3.34484e-05%) linmin: converged after 2 iterations. iteration 163: trace = 2.393065160715253 (3.34493e-05% change) linmin: converged after 3 iterations. iteration 164: trace = 2.393064428277938 (3.06067e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.393063899231234 (2.21075e-05% change) large trace change predicted (9.19447e-05%) linmin: converged after 2 iterations. iteration 166: trace = 2.393061698803955 (9.19503e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.393061060822167 (2.66597e-05% change) large trace change predicted (0.000109715%) linmin: converged after 4 iterations. iteration 168: trace = 2.393058435188836 (0.000109719% change) linmin: converged after 3 iterations. iteration 169: trace = 2.393057670620494 (3.19494e-05% change) large trace change predicted (7.14042e-05%) linmin: converged after 2 iterations. iteration 170: trace = 2.393055961842572 (7.14057e-05% change) linmin: converged after 2 iterations. iteration 171: trace = 2.393055225809343 (3.0757e-05% change) linmin: converged after 13 iterations. iteration 172: trace = 2.393054321392217 (3.77934e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.393053502317636 (3.42272e-05% change) linmin: converged after 2 iterations. iteration 174: trace = 2.393053226706609 (1.15171e-05% change) large trace change predicted (3.17505e-05%) linmin: converged after 3 iterations. iteration 175: trace = 2.393052466944314 (3.17487e-05% change) linmin: converged after 2 iterations. iteration 176: trace = 2.393052300101849 (6.97195e-06% change) large trace change predicted (2.72246e-05%) linmin: converged after 4 iterations. iteration 177: trace = 2.393051648606549 (2.72245e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 2.393051442855672 (8.59785e-06% change) linmin: converged after 9 iterations. iteration 179: trace = 2.393051126577735 (1.32165e-05% change) linmin: converged after 11 iterations. iteration 180: trace = 2.393050976102837 (6.28799e-06% change) linmin: converged after 2 iterations. iteration 181: trace = 2.393050805462165 (7.13067e-06% change) linmin: converged after 2 iterations. iteration 182: trace = 2.393050691314139 (4.76998e-06% change) linmin: converged after 3 iterations. iteration 183: trace = 2.393050612196166 (3.30616e-06% change) large trace change predicted (9.28787e-06%) linmin: converged after 2 iterations. iteration 184: trace = 2.39305038993005 (9.28798e-06% change) linmin: converged after 2 iterations. iteration 185: trace = 2.393050182780885 (8.65628e-06% change) large trace change predicted (2.05713e-05%) linmin: converged after 4 iterations. iteration 186: trace = 2.393049690537946 (2.05697e-05% change) linmin: converged after 4 iterations. iteration 187: trace = 2.393049386955344 (1.2686e-05% change) large trace change predicted (4.18579e-05%) linmin: converged after 2 iterations. iteration 188: trace = 2.393048385268165 (4.18582e-05% change) linmin: converged after 8 iterations. iteration 189: trace = 2.393047929960297 (1.90263e-05% change) large trace change predicted (5.47166e-05%) linmin: converged after 3 iterations. iteration 190: trace = 2.393046620579108 (5.47161e-05% change) linmin: converged after 3 iterations. iteration 191: trace = 2.393045960148456 (2.75979e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.393044853736222 (4.62345e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.393044222588991 (2.63742e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.393043974483738 (1.03678e-05% change) linmin: converged after 2 iterations. iteration 195: trace = 2.393043538125609 (1.82344e-05% change) linmin: converged after 4 iterations. iteration 196: trace = 2.39304348852478 (2.07271e-06% change) large trace change predicted (5.27259e-06%) linmin: converged after 2 iterations. iteration 197: trace = 2.39304336234833 (5.27264e-06% change) linmin: converged after 5 iterations. iteration 198: trace = 2.393043336035572 (1.09955e-06% change) large trace change predicted (2.86899e-06%) linmin: converged after 3 iterations. iteration 199: trace = 2.393043267380686 (2.86894e-06% change) linmin: converged after 2 iterations. iteration 200: trace = 2.39304322219102 (1.88838e-06% change) linmin: converged after 15 iterations. iteration 201: trace = 2.393043176499901 (1.90933e-06% change) linmin: converged after 9 iterations. iteration 202: trace = 2.393043086238965 (3.77181e-06% change) linmin: converged after 3 iterations. iteration 203: trace = 2.393043036172508 (2.09217e-06% change) large trace change predicted (6.66241e-06%) linmin: converged after 3 iterations. iteration 204: trace = 2.393042876742587 (6.66223e-06% change) linmin: converged after 10 iterations. iteration 205: trace = 2.393042821794685 (2.29615e-06% change) large trace change predicted (8.54843e-06%) linmin: converged after 2 iterations. iteration 206: trace = 2.393042617222518 (8.54862e-06% change) linmin: converged after 15 iterations. iteration 207: trace = 2.393042561751533 (2.31801e-06% change) linmin: converged after 2 iterations. iteration 208: trace = 2.393042480311495 (3.4032e-06% change) linmin: converged after 5 iterations. iteration 209: trace = 2.393042351418358 (5.38616e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.39304231080005 (1.69735e-06% change) large trace change predicted (4.02432e-06%) linmin: converged after 4 iterations. iteration 211: trace = 2.393042214497196 (4.02429e-06% change) linmin: converged after 2 iterations. iteration 212: trace = 2.393042178304619 (1.51241e-06% change) large trace change predicted (3.37182e-06%) linmin: converged after 6 iterations. iteration 213: trace = 2.393042097619255 (3.37167e-06% change) linmin: converged after 2 iterations. iteration 214: trace = 2.393042028375896 (2.89353e-06% change) linmin: converged after 4 iterations. iteration 215: trace = 2.393042004539828 (9.96057e-07% change) large trace change predicted (2.439e-06%) linmin: converged after 2 iterations. iteration 216: trace = 2.393041946171026 (2.4391e-06% change) linmin: converged after 3 iterations. iteration 217: trace = 2.393041926248254 (8.32529e-07% change) linmin: converged after 4 iterations. iteration 218: trace = 2.393041904456125 (9.10646e-07% change) linmin: converged after 2 iterations. iteration 219: trace = 2.393041886977673 (7.30386e-07% change) linmin: converged after 2 iterations. iteration 220: trace = 2.393041873677427 (5.55788e-07% change) linmin: converged after 2 iterations. iteration 221: trace = 2.39304185319418 (8.5595e-07% change) linmin: converged after 23 iterations. iteration 222: trace = 2.393041842184911 (4.60053e-07% change) large trace change predicted (1.2899e-06%) linmin: converged after 13 iterations. iteration 223: trace = 2.393041811317322 (1.28989e-06% change) linmin: converged after 2 iterations. iteration 224: trace = 2.393041764729894 (1.94679e-06% change) linmin: converged after 3 iterations. iteration 225: trace = 2.393041721935115 (1.7883e-06% change) large trace change predicted (5.18787e-06%) linmin: converged after 2 iterations. iteration 226: trace = 2.393041597786699 (5.18789e-06% change) linmin: converged after 7 iterations. iteration 227: trace = 2.393041570017167 (1.16043e-06% change) large trace change predicted (3.52397e-06%) linmin: converged after 4 iterations. iteration 228: trace = 2.393041485687287 (3.52396e-06% change) linmin: converged after 4 iterations. iteration 229: trace = 2.393041455639684 (1.25562e-06% change) linmin: converged after 4 iterations. iteration 230: trace = 2.393041407598266 (2.00755e-06% change) linmin: converged after 3 iterations. iteration 231: trace = 2.393041355855716 (2.16221e-06% change) linmin: converged after 2 iterations. iteration 232: trace = 2.393041338788173 (7.13216e-07% change) large trace change predicted (1.59319e-06%) linmin: converged after 9 iterations. iteration 233: trace = 2.393041300662665 (1.59318e-06% change) linmin: converged after 4 iterations. iteration 234: trace = 2.393041292286904 (3.50005e-07% change) large trace change predicted (7.60605e-07%) linmin: converged after 3 iterations. iteration 235: trace = 2.393041274085343 (7.60604e-07% change) linmin: converged after 32 iterations. iteration 236: trace = 2.393041265567493 (3.55942e-07% change) linmin: converged after 2 iterations. iteration 237: trace = 2.393041252474389 (5.47132e-07% change) linmin: converged after 4 iterations. iteration 238: trace = 2.393041239513491 (5.41608e-07% change) linmin: converged after 16 iterations. iteration 239: trace = 2.393041231193199 (3.47687e-07% change) linmin: converged after 2 iterations. iteration 240: trace = 2.39304122004731 (4.65762e-07% change) linmin: converged after 2 iterations. iteration 241: trace = 2.393041212352081 (3.21567e-07% change) linmin: converged after 26 iterations. iteration 242: trace = 2.393041199108566 (5.53418e-07% change) linmin: converged after 7 iterations. iteration 243: trace = 2.393041191816535 (3.04718e-07% change) large trace change predicted (1.04334e-06%) linmin: converged after 2 iterations. iteration 244: trace = 2.393041166848801 (1.04335e-06% change) linmin: converged after 3 iterations. iteration 245: trace = 2.39304114738646 (8.13289e-07% change) linmin: converged after 3 iterations. iteration 246: trace = 2.393041110647087 (1.53526e-06% change) linmin: converged after 22 iterations. iteration 247: trace = 2.393041042423294 (2.85092e-06% change) linmin: converged after 2 iterations. iteration 248: trace = 2.393040994646134 (1.9965e-06% change) large trace change predicted (6.70961e-06%) linmin: converged after 3 iterations. iteration 249: trace = 2.393040834085212 (6.70949e-06% change) linmin: converged after 3 iterations. iteration 250: trace = 2.393040790342903 (1.8279e-06% change) large trace change predicted (4.48407e-06%) linmin: converged after 3 iterations. iteration 251: trace = 2.393040683038219 (4.48403e-06% change) linmin: converged after 9 iterations. iteration 252: trace = 2.393040652768327 (1.26491e-06% change) linmin: converged after 2 iterations. iteration 253: trace = 2.393040628848089 (9.99575e-07% change) linmin: converged after 3 iterations. iteration 254: trace = 2.393040605671862 (9.68484e-07% change) linmin: converged after 9 iterations. iteration 255: trace = 2.393040598163359 (3.13764e-07% change) large trace change predicted (6.39703e-07%) linmin: converged after 3 iterations. iteration 256: trace = 2.393040582855061 (6.39701e-07% change) linmin: converged after 25 iterations. iteration 257: trace = 2.393040579241881 (1.50987e-07% change) large trace change predicted (5.26473e-07%) linmin: converged after 2 iterations. iteration 258: trace = 2.393040566643144 (5.26474e-07% change) linmin: converged after 3 iterations. iteration 259: trace = 2.393040554936883 (4.89179e-07% change) linmin: converged after 3 iterations. iteration 260: trace = 2.393040541708085 (5.52803e-07% change) linmin: converged after 3 iterations. iteration 261: trace = 2.393040517082569 (1.02905e-06% change) linmin: converged after 2 iterations. iteration 262: trace = 2.393040507206318 (4.12707e-07% change) large trace change predicted (1.20616e-06%) linmin: converged after 3 iterations. iteration 263: trace = 2.393040478342546 (1.20615e-06% change) linmin: converged after 3 iterations. iteration 264: trace = 2.393040467551112 (4.50951e-07% change) large trace change predicted (1.42396e-06%) linmin: converged after 3 iterations. iteration 265: trace = 2.39304043347542 (1.42395e-06% change) linmin: converged after 3 iterations. iteration 266: trace = 2.393040410734719 (9.50285e-07% change) linmin: converged after 3 iterations. iteration 267: trace = 2.393040380237216 (1.27442e-06% change) linmin: converged after 2 iterations. iteration 268: trace = 2.393040339543452 (1.7005e-06% change) linmin: converged after 3 iterations. iteration 269: trace = 2.393040323776476 (6.58868e-07% change) large trace change predicted (3.38189e-06%) linmin: converged after 6 iterations. iteration 270: trace = 2.393040242846776 (3.38188e-06% change) linmin: converged after 8 iterations. iteration 271: trace = 2.393040226927828 (6.65219e-07% change) large trace change predicted (3.08064e-06%) linmin: converged after 5 iterations. iteration 272: trace = 2.393040153208002 (3.08059e-06% change) linmin: converged after 2 iterations. iteration 273: trace = 2.393040128826914 (1.01883e-06% change) linmin: converged after 4 iterations. iteration 274: trace = 2.393040088522472 (1.68424e-06% change) linmin: converged after 24 iterations. iteration 275: trace = 2.393040055673799 (1.37268e-06% change) linmin: converged after 3 iterations. iteration 276: trace = 2.393040044852978 (4.52179e-07% change) linmin: converged after 2 iterations. iteration 277: trace = 2.393040024740216 (8.40469e-07% change) linmin: converged after 3 iterations. iteration 278: trace = 2.393040020821067 (1.63773e-07% change) large trace change predicted (6.29996e-07%) linmin: converged after 2 iterations. iteration 279: trace = 2.393040005744954 (6.29998e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.393039998588134 (2.99068e-07% change) linmin: converged after 6 iterations. iteration 281: trace = 2.393039992461008 (2.56039e-07% change) linmin: converged after 2 iterations. iteration 282: trace = 2.393039982157293 (4.3057e-07% change) linmin: converged after 16 iterations. iteration 283: trace = 2.393039975872929 (2.6261e-07% change) large trace change predicted (8.15553e-07%) linmin: converged after 2 iterations. iteration 284: trace = 2.393039956356225 (8.15561e-07% change) linmin: converged after 3 iterations. iteration 285: trace = 2.393039927899317 (1.18915e-06% change) linmin: converged after 37 iterations. iteration 286: trace = 2.393039917455742 (4.36415e-07% change) large trace change predicted (1.37029e-06%) linmin: converged after 4 iterations. iteration 287: trace = 2.393039884664085 (1.37029e-06% change) linmin: converged after 8 iterations. iteration 288: trace = 2.393039876224803 (3.52659e-07% change) linmin: converged after 3 iterations. iteration 289: trace = 2.393039859522762 (6.97942e-07% change) linmin: converged after 2 iterations. iteration 290: trace = 2.393039835796182 (9.91483e-07% change) linmin: converged after 2 iterations. iteration 291: trace = 2.393039829458547 (2.64836e-07% change) large trace change predicted (6.49109e-07%) linmin: converged after 2 iterations. iteration 292: trace = 2.393039813925088 (6.4911e-07% change) linmin: converged after 4 iterations. iteration 293: trace = 2.393039802247446 (4.87984e-07% change) linmin: converged after 2 iterations. iteration 294: trace = 2.393039798978958 (1.36583e-07% change) large trace change predicted (2.73716e-07%) linmin: converged after 2 iterations. iteration 295: trace = 2.393039792428814 (2.73716e-07% change) linmin: converged after 4 iterations. iteration 296: trace = 2.393039788016595 (1.84377e-07% change) linmin: converged after 3 iterations. iteration 297: trace = 2.393039785812167 (9.21183e-08% change) large trace change predicted (2.5447e-07%) linmin: converged after 3 iterations. iteration 298: trace = 2.393039779722602 (2.5447e-07% change) linmin: converged after 4 iterations. iteration 299: trace = 2.393039778469572 (5.23614e-08% change) large trace change predicted (1.81191e-07%) linmin: converged after 16 iterations. iteration 300: trace = 2.393039774133607 (1.81191e-07% change) linmin: converged after 2 iterations. iteration 301: trace = 2.393039771960035 (9.08289e-08% change) linmin: converged after 4 iterations. iteration 302: trace = 2.393039769762954 (9.18113e-08% change) large trace change predicted (1.94365e-07%) linmin: converged after 2 iterations. iteration 303: trace = 2.393039765111722 (1.94365e-07% change) linmin: converged after 4 iterations. iteration 304: trace = 2.393039761316074 (1.58612e-07% change) large trace change predicted (4.03283e-07%) linmin: converged after 2 iterations. iteration 305: trace = 2.393039751665311 (4.03285e-07% change) linmin: converged after 6 iterations. iteration 306: trace = 2.393039735658131 (6.68906e-07% change) linmin: converged after 2 iterations. iteration 307: trace = 2.393039727600921 (3.36694e-07% change) large trace change predicted (8.38676e-07%) linmin: converged after 2 iterations. iteration 308: trace = 2.393039707531025 (8.38678e-07% change) linmin: converged after 3 iterations. iteration 309: trace = 2.393039701295169 (2.60583e-07% change) linmin: converged after 2 iterations. iteration 310: trace = 2.393039692166524 (3.81467e-07% change) linmin: converged after 9 iterations. iteration 311: trace = 2.39303968518334 (2.91812e-07% change) linmin: converged after 2 iterations. iteration 312: trace = 2.393039682433179 (1.14923e-07% change) large trace change predicted (3.61464e-07%) linmin: converged after 6 iterations. iteration 313: trace = 2.393039673783208 (3.61464e-07% change) linmin: converged after 4 iterations. iteration 314: trace = 2.393039671514094 (9.48214e-08% change) large trace change predicted (2.35806e-07%) linmin: converged after 8 iterations. iteration 315: trace = 2.393039665871191 (2.35805e-07% change) linmin: converged after 3 iterations. iteration 316: trace = 2.393039663837637 (8.49779e-08% change) linmin: converged after 4 iterations. iteration 317: trace = 2.393039660360778 (1.4529e-07% change) linmin: converged after 21 iterations. iteration 318: trace = 2.393039658877888 (6.19668e-08% change) linmin: converged after 2 iterations. iteration 319: trace = 2.393039656304095 (1.07553e-07% change) linmin: converged after 3 iterations. iteration 320: trace = 2.393039655482078 (3.43503e-08% change) large trace change predicted (8.10143e-08%) linmin: converged after 2 iterations. iteration 321: trace = 2.393039653543371 (8.10144e-08% change) linmin: converged after 2 iterations. iteration 322: trace = 2.393039652667543 (3.6599e-08% change) linmin: converged after 2 iterations. iteration 323: trace = 2.39303965179758 (3.63539e-08% change) linmin: converged after 4 iterations. iteration 324: trace = 2.393039650857938 (3.92657e-08% change) linmin: converged after 4 iterations. iteration 325: trace = 2.393039649763718 (4.57251e-08% change) linmin: converged after 2 iterations. iteration 326: trace = 2.393039648555319 (5.04964e-08% change) large trace change predicted (1.04244e-07%) linmin: converged after 2 iterations. iteration 327: trace = 2.393039646060734 (1.04243e-07% change) linmin: converged after 6 iterations. iteration 328: trace = 2.393039644163033 (7.93009e-08% change) large trace change predicted (2.22822e-07%) linmin: converged after 6 iterations. iteration 329: trace = 2.393039638830839 (2.22821e-07% change) linmin: converged after 3 iterations. iteration 330: trace = 2.3930396329828 (2.44377e-07% change) linmin: converged after 3 iterations. iteration 331: trace = 2.39303962591282 (2.95439e-07% change) linmin: converged after 3 iterations. iteration 332: trace = 2.393039619672738 (2.6076e-07% change) linmin: converged after 9 iterations. iteration 333: trace = 2.393039609194723 (4.37854e-07% change) linmin: converged after 2 iterations. iteration 334: trace = 2.393039602892678 (2.63349e-07% change) linmin: converged after 19 iterations. iteration 335: trace = 2.393039594222881 (3.62292e-07% change) linmin: converged after 3 iterations. iteration 336: trace = 2.393039591643858 (1.07772e-07% change) large trace change predicted (2.37396e-07%) linmin: converged after 27 iterations. iteration 337: trace = 2.393039585962899 (2.37395e-07% change) linmin: converged after 10 iterations. iteration 338: trace = 2.393039584905472 (4.41876e-08% change) large trace change predicted (1.12162e-07%) linmin: converged after 2 iterations. iteration 339: trace = 2.393039582221384 (1.12162e-07% change) linmin: converged after 3 iterations. iteration 340: trace = 2.3930395816538 (2.37181e-08% change) large trace change predicted (6.74613e-08%) linmin: converged after 25 iterations. iteration 341: trace = 2.393039580039432 (6.7461e-08% change) linmin: converged after 3 iterations. iteration 342: trace = 2.39303957910515 (3.90416e-08% change) linmin: converged after 3 iterations. iteration 343: trace = 2.393039578021191 (4.52963e-08% change) large trace change predicted (1.07574e-07%) linmin: converged after 2 iterations. iteration 344: trace = 2.393039575446891 (1.07574e-07% change) linmin: converged after 3 iterations. iteration 345: trace = 2.393039573539149 (7.97205e-08% change) linmin: converged after 6 iterations. iteration 346: trace = 2.393039570230005 (1.38282e-07% change) linmin: converged after 4 iterations. iteration 347: trace = 2.393039568424698 (7.54399e-08% change) linmin: converged after 4 iterations. iteration 348: trace = 2.393039565214043 (1.34166e-07% change) linmin: converged after 3 iterations. iteration 349: trace = 2.393039563881247 (5.56947e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.39303956267448 (5.04282e-08% change) linmin: converged after 3 iterations. iteration 351: trace = 2.393039561425818 (5.21789e-08% change) large trace change predicted (1.3467e-07%) linmin: converged after 2 iterations. iteration 352: trace = 2.393039558203109 (1.3467e-07% change) linmin: converged after 12 iterations. iteration 353: trace = 2.39303955698777 (5.07864e-08% change) large trace change predicted (1.43516e-07%) linmin: converged after 4 iterations. iteration 354: trace = 2.393039553553354 (1.43517e-07% change) linmin: converged after 3 iterations. iteration 355: trace = 2.393039552959673 (2.48087e-08% change) large trace change predicted (5.71265e-08%) linmin: converged after 3 iterations. iteration 356: trace = 2.393039551592608 (5.71267e-08% change) linmin: converged after 24 iterations. iteration 357: trace = 2.393039550377352 (5.07829e-08% change) linmin: converged after 4 iterations. iteration 358: trace = 2.393039549748476 (2.62794e-08% change) linmin: converged after 14 iterations. iteration 359: trace = 2.393039548731634 (4.24916e-08% change) linmin: converged after 3 iterations. iteration 360: trace = 2.393039547913643 (3.41821e-08% change) large trace change predicted (8.75498e-08%) linmin: converged after 2 iterations. iteration 361: trace = 2.393039545818541 (8.75498e-08% change) linmin: converged after 31 iterations. iteration 362: trace = 2.393039542756413 (1.2796e-07% change) linmin: converged after 3 iterations. iteration 363: trace = 2.393039540102205 (1.10914e-07% change) large trace change predicted (2.31383e-07%) linmin: converged after 3 iterations. iteration 364: trace = 2.393039534565114 (2.31383e-07% change) linmin: converged after 16 iterations. iteration 365: trace = 2.393039532914799 (6.89631e-08% change) large trace change predicted (1.4868e-07%) linmin: converged after 20 iterations. iteration 366: trace = 2.393039529356831 (1.4868e-07% change) linmin: converged after 4 iterations. iteration 367: trace = 2.393039526654477 (1.12926e-07% change) linmin: converged after 2 iterations. iteration 368: trace = 2.39303952426049 (1.0004e-07% change) linmin: converged after 4 iterations. iteration 369: trace = 2.393039522867494 (5.82103e-08% change) linmin: converged after 23 iterations. iteration 370: trace = 2.393039521615015 (5.23384e-08% change) linmin: converged after 24 iterations. iteration 371: trace = 2.393039520820476 (3.32021e-08% change) linmin: converged after 17 iterations. iteration 372: trace = 2.393039519980512 (3.51003e-08% change) linmin: converged after 3 iterations. iteration 373: trace = 2.393039519401716 (2.41867e-08% change) linmin: converged after 4 iterations. iteration 374: trace = 2.393039518961432 (1.83985e-08% change) linmin: converged after 3 iterations. iteration 375: trace = 2.393039518273743 (2.87371e-08% change) linmin: converged after 6 iterations. iteration 376: trace = 2.393039517889256 (1.60669e-08% change) linmin: converged after 3 iterations. iteration 377: trace = 2.393039517326358 (2.35223e-08% change) linmin: converged after 4 iterations. iteration 378: trace = 2.393039516655029 (2.80534e-08% change) linmin: converged after 3 iterations. iteration 379: trace = 2.393039516280169 (1.56646e-08% change) linmin: converged after 4 iterations. iteration 380: trace = 2.39303951572279 (2.32917e-08% change) linmin: converged after 4 iterations. iteration 381: trace = 2.393039515441266 (1.17643e-08% change) large trace change predicted (2.36182e-08%) linmin: converged after 7 iterations. iteration 382: trace = 2.393039514876071 (2.36183e-08% change) linmin: converged after 4 iterations. iteration 383: trace = 2.393039514551921 (1.35455e-08% change) large trace change predicted (3.41397e-08%) linmin: converged after 2 iterations. iteration 384: trace = 2.393039513734942 (3.41398e-08% change) linmin: converged after 2 iterations. iteration 385: trace = 2.393039513379712 (1.48443e-08% change) large trace change predicted (5.60247e-08%) linmin: converged after 3 iterations. iteration 386: trace = 2.393039512039018 (5.60248e-08% change) linmin: converged after 7 iterations. iteration 387: trace = 2.393039511493537 (2.27945e-08% change) large trace change predicted (1.13815e-07%) linmin: converged after 2 iterations. iteration 388: trace = 2.393039508769907 (1.13815e-07% change) linmin: converged after 4 iterations. iteration 389: trace = 2.39303950768428 (4.5366e-08% change) large trace change predicted (1.56282e-07%) linmin: converged after 2 iterations. iteration 390: trace = 2.393039503944366 (1.56283e-07% change) linmin: converged after 6 iterations. iteration 391: trace = 2.393039501807774 (8.92836e-08% change) large trace change predicted (2.28973e-07%) linmin: converged after 3 iterations. iteration 392: trace = 2.393039496328353 (2.28973e-07% change) linmin: converged after 4 iterations. iteration 393: trace = 2.393039495317816 (4.22282e-08% change) large trace change predicted (1.04348e-07%) linmin: converged after 2 iterations. iteration 394: trace = 2.393039492820725 (1.04348e-07% change) linmin: converged after 4 iterations. iteration 395: trace = 2.393039491844283 (4.08035e-08% change) linmin: converged after 4 iterations. iteration 396: trace = 2.39303949116256 (2.84877e-08% change) linmin: converged after 16 iterations. iteration 397: trace = 2.393039490556308 (2.5334e-08% change) linmin: converged after 4 iterations. iteration 398: trace = 2.39303949031782 (9.9659e-09% change) linmin: converged after 3 iterations. iteration 399: trace = 2.393039489934664 (1.60113e-08% change) linmin: converged after 3 iterations. iteration 400: trace = 2.393039489770787 (6.84808e-09% change) large trace change predicted (2.18734e-08%) linmin: converged after 2 iterations. iteration 401: trace = 2.393039489247349 (2.18733e-08% change) linmin: converged after 19 iterations. iteration 402: trace = 2.39303948901657 (9.64374e-09% change) linmin: converged after 24 iterations. iteration 403: trace = 2.393039488794239 (9.29074e-09% change) large trace change predicted (2.38595e-08%) linmin: converged after 2 iterations. iteration 404: trace = 2.393039488223271 (2.38596e-08% change) linmin: converged after 4 iterations. iteration 405: trace = 2.393039488004461 (9.1436e-09% change) linmin: converged after 2 iterations. iteration 406: trace = 2.393039487583196 (1.76037e-08% change) linmin: converged after 2 iterations. iteration 407: trace = 2.393039487071642 (2.13768e-08% change) linmin: converged after 3 iterations. iteration 408: trace = 2.393039486818164 (1.05923e-08% change) large trace change predicted (2.63209e-08%) linmin: converged after 2 iterations. iteration 409: trace = 2.393039486188296 (2.63209e-08% change) linmin: converged after 18 iterations. iteration 410: trace = 2.393039485707281 (2.01006e-08% change) linmin: converged after 2 iterations. iteration 411: trace = 2.393039485425682 (1.17674e-08% change) large trace change predicted (3.75376e-08%) linmin: converged after 2 iterations. iteration 412: trace = 2.393039484527393 (3.75376e-08% change) linmin: converged after 2 iterations. iteration 413: trace = 2.393039483638173 (3.71586e-08% change) linmin: converged after 2 iterations. iteration 414: trace = 2.393039483285332 (1.47445e-08% change) large trace change predicted (3.09767e-08%) linmin: converged after 4 iterations. iteration 415: trace = 2.393039482544049 (3.09766e-08% change) linmin: converged after 3 iterations. iteration 416: trace = 2.393039481442303 (4.60396e-08% change) linmin: converged after 3 iterations. iteration 417: trace = 2.393039480941199 (2.09401e-08% change) linmin: converged after 3 iterations. iteration 418: trace = 2.393039480243051 (2.91741e-08% change) linmin: converged after 2 iterations. iteration 419: trace = 2.393039478948365 (5.41021e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.393039477926403 (4.27056e-08% change) linmin: converged after 2 iterations. iteration 421: trace = 2.393039476999282 (3.87424e-08% change) linmin: converged after 21 iterations. iteration 422: trace = 2.393039476268989 (3.05174e-08% change) linmin: converged after 2 iterations. iteration 423: trace = 2.393039475772431 (2.07501e-08% change) linmin: converged after 2 iterations. iteration 424: trace = 2.393039474809787 (4.02269e-08% change) linmin: converged after 3 iterations. iteration 425: trace = 2.393039474551542 (1.07915e-08% change) large trace change predicted (2.69323e-08%) linmin: converged after 3 iterations. iteration 426: trace = 2.393039473907038 (2.69324e-08% change) linmin: converged after 2 iterations. iteration 427: trace = 2.393039473550498 (1.48991e-08% change) linmin: converged after 2 iterations. iteration 428: trace = 2.393039473363917 (7.79682e-09% change) linmin: converged after 2 iterations. iteration 429: trace = 2.393039473021422 (1.43121e-08% change) linmin: converged after 4 iterations. iteration 430: trace = 2.393039472723827 (1.24359e-08% change) linmin: converged after 2 iterations. iteration 431: trace = 2.393039472407803 (1.3206e-08% change) large trace change predicted (3.11412e-08%) linmin: converged after 2 iterations. iteration 432: trace = 2.393039471662581 (3.11412e-08% change) linmin: converged after 6 iterations. iteration 433: trace = 2.393039471347898 (1.315e-08% change) large trace change predicted (3.19854e-08%) linmin: converged after 3 iterations. iteration 434: trace = 2.393039470582475 (3.19854e-08% change) linmin: converged after 3 iterations. iteration 435: trace = 2.393039469737788 (3.52977e-08% change) linmin: converged after 4 iterations. iteration 436: trace = 2.393039469001626 (3.07626e-08% change) large trace change predicted (7.16775e-08%) linmin: converged after 2 iterations. iteration 437: trace = 2.393039467286355 (7.16775e-08% change) linmin: converged after 8 iterations. iteration 438: trace = 2.393039466066492 (5.09755e-08% change) linmin: converged after 4 iterations. iteration 439: trace = 2.393039464375519 (7.06621e-08% change) linmin: converged after 3 iterations. iteration 440: trace = 2.393039463359695 (4.24491e-08% change) linmin: converged after 3 iterations. iteration 441: trace = 2.393039462560633 (3.33911e-08% change) linmin: converged after 3 iterations. iteration 442: trace = 2.393039462032209 (2.20817e-08% change) linmin: converged after 4 iterations. iteration 443: trace = 2.393039461779433 (1.0563e-08% change) linmin: converged after 2 iterations. iteration 444: trace = 2.393039461320703 (1.91693e-08% change) linmin: converged after 4 iterations. iteration 445: trace = 2.393039461114538 (8.61521e-09% change) linmin: converged after 2 iterations. iteration 446: trace = 2.393039460734742 (1.58709e-08% change) linmin: converged after 4 iterations. iteration 447: trace = 2.393039460380948 (1.47843e-08% change) linmin: converged after 4 iterations. iteration 448: trace = 2.393039460176832 (8.52958e-09% change) linmin: converged after 4 iterations. iteration 449: trace = 2.393039459813054 (1.52015e-08% change) linmin: converged after 22 iterations. iteration 450: trace = 2.393039459649047 (6.8535e-09% change) linmin: converged after 3 iterations. iteration 451: trace = 2.393039459376545 (1.13873e-08% change) linmin: converged after 16 iterations. iteration 452: trace = 2.393039459167029 (8.75522e-09% change) linmin: converged after 15 iterations. iteration 453: trace = 2.393039458983208 (7.68148e-09% change) large trace change predicted (1.69843e-08%) linmin: converged after 4 iterations. iteration 454: trace = 2.393039458576769 (1.69842e-08% change) linmin: converged after 9 iterations. iteration 455: trace = 2.393039458400781 (7.35417e-09% change) large trace change predicted (2.89765e-08%) linmin: converged after 2 iterations. iteration 456: trace = 2.393039457707359 (2.89766e-08% change) linmin: converged after 3 iterations. iteration 457: trace = 2.393039457305127 (1.68085e-08% change) linmin: converged after 2 iterations. iteration 458: trace = 2.393039456513117 (3.30964e-08% change) linmin: converged after 3 iterations. iteration 459: trace = 2.393039455559978 (3.98297e-08% change) linmin: converged after 3 iterations. iteration 460: trace = 2.393039455253074 (1.28249e-08% change) large trace change predicted (3.10149e-08%) linmin: converged after 4 iterations. iteration 461: trace = 2.393039454510877 (3.10148e-08% change) linmin: converged after 3 iterations. iteration 462: trace = 2.393039454407893 (4.30347e-09% change) large trace change predicted (1.19922e-08%) linmin: converged after 3 iterations. iteration 463: trace = 2.393039454120915 (1.19922e-08% change) linmin: converged after 20 iterations. iteration 464: trace = 2.393039453965244 (6.50516e-09% change) linmin: converged after 7 iterations. iteration 465: trace = 2.393039453873891 (3.81743e-09% change) large trace change predicted (7.95008e-09%) linmin: converged after 2 iterations. iteration 466: trace = 2.393039453683643 (7.95003e-09% change) linmin: converged after 25 iterations. iteration 467: trace = 2.393039453616372 (2.81111e-09% change) large trace change predicted (1.15918e-08%) linmin: converged after 21 iterations. iteration 468: trace = 2.393039453338977 (1.15918e-08% change) linmin: converged after 3 iterations. iteration 469: trace = 2.393039453181605 (6.57623e-09% change) linmin: converged after 4 iterations. iteration 470: trace = 2.393039452979553 (8.44333e-09% change) large trace change predicted (3.15238e-08%) linmin: converged after 22 iterations. iteration 471: trace = 2.393039452225175 (3.15238e-08% change) linmin: converged after 9 iterations. iteration 472: trace = 2.393039451919282 (1.27826e-08% change) large trace change predicted (5.78184e-08%) linmin: converged after 2 iterations. iteration 473: trace = 2.393039450535662 (5.78185e-08% change) linmin: converged after 3 iterations. iteration 474: trace = 2.393039449858847 (2.82826e-08% change) linmin: converged after 4 iterations. iteration 475: trace = 2.393039449251654 (2.53733e-08% change) linmin: converged after 12 iterations. iteration 476: trace = 2.393039448564412 (2.87184e-08% change) linmin: converged after 3 iterations. iteration 477: trace = 2.393039448219724 (1.44037e-08% change) linmin: converged after 3 iterations. iteration 478: trace = 2.393039447567956 (2.7236e-08% change) linmin: converged after 3 iterations. iteration 479: trace = 2.393039446595691 (4.06288e-08% change) linmin: converged after 31 iterations. iteration 480: trace = 2.393039446244036 (1.46949e-08% change) large trace change predicted (3.8525e-08%) linmin: converged after 3 iterations. iteration 481: trace = 2.393039445322119 (3.85249e-08% change) linmin: converged after 26 iterations. iteration 482: trace = 2.393039445098506 (9.3443e-09% change) linmin: converged after 2 iterations. iteration 483: trace = 2.393039444751397 (1.45049e-08% change) linmin: converged after 2 iterations. iteration 484: trace = 2.393039444437792 (1.31049e-08% change) linmin: converged after 4 iterations. iteration 485: trace = 2.393039444304923 (5.55229e-09% change) large trace change predicted (1.1596e-08%) linmin: converged after 2 iterations. iteration 486: trace = 2.393039444027427 (1.1596e-08% change) linmin: converged after 16 iterations. iteration 487: trace = 2.393039443920743 (4.4581e-09% change) large trace change predicted (2.79952e-08%) linmin: converged after 3 iterations. iteration 488: trace = 2.393039443250811 (2.7995e-08% change) linmin: converged after 17 iterations. iteration 489: trace = 2.393039442646199 (2.52654e-08% change) resetting CG direction... linmin: converged after 13 iterations. iteration 490: trace = 2.393039442299812 (1.44748e-08% change) linmin: converged after 2 iterations. iteration 491: trace = 2.393039441805792 (2.0644e-08% change) linmin: converged after 2 iterations. iteration 492: trace = 2.393039441651443 (6.4499e-09% change) linmin: converged after 4 iterations. iteration 493: trace = 2.393039441452852 (8.29871e-09% change) linmin: converged after 22 iterations. iteration 494: trace = 2.393039441208438 (1.02135e-08% change) linmin: converged after 4 iterations. iteration 495: trace = 2.39303944111118 (4.06419e-09% change) large trace change predicted (8.55574e-09%) linmin: converged after 4 iterations. iteration 496: trace = 2.393039440906435 (8.55584e-09% change) linmin: converged after 3 iterations. iteration 497: trace = 2.393039440676161 (9.62266e-09% change) linmin: converged after 4 iterations. iteration 498: trace = 2.39303944041246 (1.10195e-08% change) linmin: converged after 15 iterations. iteration 499: trace = 2.393039440060363 (1.47134e-08% change) linmin: converged after 8 iterations. iteration 500: trace = 2.393039439760154 (1.25451e-08% change) linmin: converged after 2 iterations. iteration 501: trace = 2.393039439533408 (9.47524e-09% change) linmin: converged after 3 iterations. iteration 502: trace = 2.393039439305649 (9.51757e-09% change) linmin: converged after 3 iterations. iteration 503: trace = 2.393039439118756 (7.80985e-09% change) linmin: converged after 3 iterations. iteration 504: trace = 2.393039438926703 (8.02547e-09% change) linmin: converged after 22 iterations. iteration 505: trace = 2.393039438726128 (8.38162e-09% change) linmin: converged after 3 iterations. iteration 506: trace = 2.393039438560051 (6.93998e-09% change) linmin: converged after 2 iterations. iteration 507: trace = 2.393039438269508 (1.21412e-08% change) linmin: converged after 3 iterations. iteration 508: trace = 2.393039438058844 (8.8032e-09% change) linmin: converged after 4 iterations. iteration 509: trace = 2.393039437831193 (9.51306e-09% change) linmin: converged after 4 iterations. iteration 510: trace = 2.39303943763846 (8.05392e-09% change) linmin: converged after 7 iterations. iteration 511: trace = 2.393039437469497 (7.06061e-09% change) linmin: converged after 7 iterations. iteration 512: trace = 2.393039437431752 (1.57728e-09% change) large trace change predicted (4.32323e-09%) linmin: converged after 3 iterations. iteration 513: trace = 2.393039437328298 (4.32309e-09% change) linmin: converged after 4 iterations. iteration 514: trace = 2.39303943730721 (8.81223e-10% change) large trace change predicted (3.37711e-09%) linmin: converged after 2 iterations. iteration 515: trace = 2.393039437226395 (3.37708e-09% change) linmin: converged after 2 iterations. iteration 516: trace = 2.393039437200484 (1.08278e-09% change) linmin: converged after 3 iterations. iteration 517: trace = 2.393039437162772 (1.57591e-09% change) linmin: converged after 2 iterations. iteration 518: trace = 2.393039437123461 (1.64273e-09% change) linmin: converged after 12 iterations. iteration 519: trace = 2.3930394371072 (6.79521e-10% change) large trace change predicted (2.86827e-09%) linmin: converged after 3 iterations. iteration 520: trace = 2.393039437038561 (2.86827e-09% change) linmin: converged after 5 iterations. iteration 521: trace = 2.393039436982094 (2.35963e-09% change) large trace change predicted (5.65579e-09%) linmin: converged after 16 iterations. iteration 522: trace = 2.39303943684675 (5.65573e-09% change) linmin: converged after 15 iterations. iteration 523: trace = 2.393039436737217 (4.57718e-09% change) linmin: converged after 3 iterations. iteration 524: trace = 2.393039436595495 (5.92223e-09% change) linmin: converged after 2 iterations. iteration 525: trace = 2.393039436412383 (7.65189e-09% change) linmin: converged after 4 iterations. iteration 526: trace = 2.39303943633904 (3.06481e-09% change) linmin: converged after 2 iterations. iteration 527: trace = 2.393039436225579 (4.7413e-09% change) linmin: converged after 4 iterations. iteration 528: trace = 2.39303943617135 (2.26614e-09% change) linmin: converged after 4 iterations. iteration 529: trace = 2.393039436100455 (2.96254e-09% change) linmin: converged after 4 iterations. iteration 530: trace = 2.393039436031273 (2.89097e-09% change) linmin: converged after 3 iterations. iteration 531: trace = 2.393039435986112 (1.88715e-09% change) linmin: converged after 3 iterations. iteration 532: trace = 2.393039435904366 (3.41602e-09% change) linmin: converged after 24 iterations. iteration 533: trace = 2.393039435872721 (1.32237e-09% change) linmin: converged after 15 iterations. iteration 534: trace = 2.393039435830351 (1.77054e-09% change) linmin: converged after 3 iterations. iteration 535: trace = 2.393039435801646 (1.19954e-09% change) linmin: converged after 15 iterations. iteration 536: trace = 2.393039435769137 (1.35849e-09% change) linmin: converged after 4 iterations. iteration 537: trace = 2.393039435741989 (1.13444e-09% change) linmin: converged after 3 iterations. iteration 538: trace = 2.39303943569753 (1.85787e-09% change) linmin: converged after 22 iterations. iteration 539: trace = 2.393039435642318 (2.30718e-09% change) linmin: converged after 19 iterations. iteration 540: trace = 2.393039435598155 (1.84545e-09% change) large trace change predicted (6.25379e-09%) linmin: converged after 15 iterations. iteration 541: trace = 2.393039435448499 (6.2538e-09% change) linmin: converged after 4 iterations. iteration 542: trace = 2.393039435363751 (3.54146e-09% change) large trace change predicted (9.27864e-09%) linmin: converged after 2 iterations. iteration 543: trace = 2.393039435141708 (9.27869e-09% change) linmin: converged after 10 iterations. iteration 544: trace = 2.393039434999154 (5.95703e-09% change) linmin: converged after 4 iterations. iteration 545: trace = 2.393039434907522 (3.82911e-09% change) linmin: converged after 4 iterations. iteration 546: trace = 2.393039434780369 (5.31343e-09% change) linmin: converged after 16 iterations. iteration 547: trace = 2.3930394347229 (2.40151e-09% change) linmin: converged after 15 iterations. iteration 548: trace = 2.393039434648757 (3.09829e-09% change) linmin: converged after 15 iterations. iteration 549: trace = 2.393039434622283 (1.10629e-09% change) linmin: converged after 3 iterations. iteration 550: trace = 2.39303943457423 (2.00804e-09% change) linmin: converged after 10 iterations. iteration 551: trace = 2.393039434545178 (1.21402e-09% change) linmin: converged after 5 iterations. iteration 552: trace = 2.393039434529119 (6.71059e-10% change) linmin: converged after 3 iterations. iteration 553: trace = 2.393039434502704 (1.10382e-09% change) linmin: converged after 15 iterations. iteration 554: trace = 2.393039434486568 (6.74307e-10% change) large trace change predicted (1.4415e-09%) linmin: converged after 3 iterations. iteration 555: trace = 2.393039434452073 (1.44148e-09% change) linmin: converged after 4 iterations. iteration 556: trace = 2.393039434419701 (1.35275e-09% change) linmin: converged after 6 iterations. iteration 557: trace = 2.39303943439731 (9.35671e-10% change) large trace change predicted (1.96223e-09%) linmin: converged after 4 iterations. iteration 558: trace = 2.393039434350352 (1.96229e-09% change) linmin: converged after 4 iterations. iteration 559: trace = 2.393039434332054 (7.64608e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.393039434319788 (5.12596e-10% change) linmin: converged after 2 iterations. iteration 561: trace = 2.393039434302426 (7.25507e-10% change) linmin: converged after 5 iterations. iteration 562: trace = 2.393039434279316 (9.65716e-10% change) linmin: converged after 11 iterations. iteration 563: trace = 2.393039434267646 (4.87674e-10% change) large trace change predicted (1.95403e-09%) linmin: converged after 4 iterations. iteration 564: trace = 2.393039434220884 (1.95405e-09% change) linmin: converged after 3 iterations. iteration 565: trace = 2.393039434197808 (9.64305e-10% change) linmin: converged after 4 iterations. iteration 566: trace = 2.393039434170585 (1.13761e-09% change) linmin: converged after 3 iterations. iteration 567: trace = 2.393039434138067 (1.35884e-09% change) linmin: converged after 3 iterations. iteration 568: trace = 2.393039434122361 (6.56324e-10% change) linmin: converged after 3 iterations. iteration 569: trace = 2.393039434094959 (1.14506e-09% change) linmin: converged after 2 iterations. iteration 570: trace = 2.393039434064722 (1.26356e-09% change) linmin: converged after 15 iterations. iteration 571: trace = 2.393039434049597 (6.32051e-10% change) large trace change predicted (3.16376e-09%) linmin: converged after 4 iterations. iteration 572: trace = 2.393039433973887 (3.16373e-09% change) linmin: converged after 4 iterations. iteration 573: trace = 2.393039433902657 (2.97655e-09% change) linmin: converged after 3 iterations. iteration 574: trace = 2.393039433839471 (2.64042e-09% change) linmin: converged after 3 iterations. iteration 575: trace = 2.393039433715984 (5.16026e-09% change) linmin: converged after 11 iterations. iteration 576: trace = 2.393039433648087 (2.83726e-09% change) linmin: converged after 8 iterations. iteration 577: trace = 2.393039433578904 (2.891e-09% change) linmin: converged after 2 iterations. iteration 578: trace = 2.3930394334876 (3.81539e-09% change) linmin: converged after 4 iterations. iteration 579: trace = 2.39303943347169 (6.64861e-10% change) large trace change predicted (1.7858e-09%) linmin: converged after 2 iterations. iteration 580: trace = 2.393039433428955 (1.78581e-09% change) linmin: converged after 5 iterations. iteration 581: trace = 2.393039433417152 (4.93222e-10% change) linmin: converged after 2 iterations. iteration 582: trace = 2.393039433402022 (6.32255e-10% change) linmin: converged after 2 iterations. iteration 583: trace = 2.393039433385177 (7.03906e-10% change) linmin: converged after 3 iterations. iteration 584: trace = 2.393039433379163 (2.51306e-10% change) large trace change predicted (1.10909e-09%) linmin: converged after 3 iterations. iteration 585: trace = 2.39303943335262 (1.10917e-09% change) linmin: converged after 4 iterations. iteration 586: trace = 2.393039433343634 (3.7553e-10% change) large trace change predicted (1.21886e-09%) linmin: converged after 6 iterations. iteration 587: trace = 2.393039433314466 (1.21886e-09% change) linmin: converged after 4 iterations. iteration 588: trace = 2.393039433302941 (4.81587e-10% change) large trace change predicted (1.22119e-09%) linmin: converged after 3 iterations. iteration 589: trace = 2.393039433273721 (1.22107e-09% change) linmin: converged after 3 iterations. iteration 590: trace = 2.393039433256853 (7.04852e-10% change) large trace change predicted (1.53006e-09%) linmin: converged after 2 iterations. iteration 591: trace = 2.393039433220238 (1.53009e-09% change) linmin: converged after 7 iterations. iteration 592: trace = 2.393039433202398 (7.45475e-10% change) large trace change predicted (1.69656e-09%) linmin: converged after 13 iterations. iteration 593: trace = 2.393039433161799 (1.69657e-09% change) linmin: converged after 3 iterations. iteration 594: trace = 2.393039433144423 (7.26082e-10% change) large trace change predicted (1.71375e-09%) linmin: converged after 2 iterations. iteration 595: trace = 2.393039433103413 (1.71375e-09% change) linmin: converged after 7 iterations. iteration 596: trace = 2.393039433084853 (7.75557e-10% change) large trace change predicted (1.98268e-09%) linmin: converged after 18 iterations. iteration 597: trace = 2.393039433037407 (1.98267e-09% change) linmin: converged after 10 iterations. iteration 598: trace = 2.393039433007277 (1.25909e-09% change) linmin: converged after 2 iterations. iteration 599: trace = 2.39303943296656 (1.70145e-09% change) linmin: converged after 4 iterations. iteration 600: trace = 2.393039432952654 (5.81129e-10% change) linmin: converged after 4 iterations. iteration 601: trace = 2.393039432933177 (8.13897e-10% change) linmin: converged after 4 iterations. iteration 602: trace = 2.39303943292701 (2.5769e-10% change) linmin: converged after 2 iterations. iteration 603: trace = 2.393039432916008 (4.59744e-10% change) linmin: converged after 4 iterations. iteration 604: trace = 2.393039432910543 (2.28388e-10% change) linmin: converged after 3 iterations. iteration 605: trace = 2.393039432903267 (3.04028e-10% change) linmin: converged after 3 iterations. iteration 606: trace = 2.393039432892049 (4.68801e-10% change) linmin: converged after 6 iterations. iteration 607: trace = 2.393039432885863 (2.58488e-10% change) large trace change predicted (1.20333e-09%) linmin: converged after 6 iterations. iteration 608: trace = 2.393039432857067 (1.20335e-09% change) linmin: converged after 5 iterations. iteration 609: trace = 2.393039432844189 (5.38131e-10% change) large trace change predicted (2.663e-09%) linmin: converged after 10 iterations. iteration 610: trace = 2.393039432780462 (2.66303e-09% change) linmin: converged after 5 iterations. iteration 611: trace = 2.393039432760234 (8.45259e-10% change) linmin: converged after 4 iterations. iteration 612: trace = 2.393039432720788 (1.64837e-09% change) linmin: converged after 3 iterations. iteration 613: trace = 2.393039432692547 (1.18013e-09% change) linmin: converged after 10 iterations. iteration 614: trace = 2.39303943263715 (2.3149e-09% change) linmin: converged after 6 iterations. iteration 615: trace = 2.393039432614009 (9.67052e-10% change) large trace change predicted (2.57516e-09%) linmin: converged after 2 iterations. iteration 616: trace = 2.393039432552384 (2.57514e-09% change) linmin: converged after 6 iterations. iteration 617: trace = 2.393039432516965 (1.48009e-09% change) linmin: converged after 4 iterations. iteration 618: trace = 2.393039432493457 (9.82343e-10% change) linmin: converged after 3 iterations. iteration 619: trace = 2.39303943244965 (1.83061e-09% change) linmin: converged after 2 iterations. iteration 620: trace = 2.393039432430069 (8.18239e-10% change) linmin: converged after 7 iterations. iteration 621: trace = 2.393039432397874 (1.34537e-09% change) linmin: converged after 2 iterations. iteration 622: trace = 2.393039432364592 (1.39079e-09% change) linmin: converged after 3 iterations. iteration 623: trace = 2.39303943235275 (4.94874e-10% change) large trace change predicted (1.78139e-09%) linmin: converged after 6 iterations. iteration 624: trace = 2.393039432310123 (1.78126e-09% change) linmin: converged after 2 iterations. iteration 625: trace = 2.393039432300328 (4.09324e-10% change) linmin: converged after 4 iterations. iteration 626: trace = 2.393039432283957 (6.84105e-10% change) linmin: converged after 3 iterations. iteration 627: trace = 2.393039432265923 (7.53622e-10% change) linmin: converged after 7 iterations. iteration 628: trace = 2.393039432259893 (2.51974e-10% change) large trace change predicted (2.09464e-09%) linmin: converged after 2 iterations. iteration 629: trace = 2.393039432209767 (2.09465e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 630: trace = 2.39303943219047 (8.06399e-10% change) linmin: converged after 9 iterations. iteration 631: trace = 2.393039432168361 (9.23868e-10% change) linmin: converged after 2 iterations. iteration 632: trace = 2.393039432152426 (6.65882e-10% change) linmin: converged after 6 iterations. iteration 633: trace = 2.393039432144656 (3.24701e-10% change) linmin: converged after 4 iterations. iteration 634: trace = 2.393039432130057 (6.10042e-10% change) linmin: converged after 3 iterations. iteration 635: trace = 2.393039432123419 (2.77398e-10% change) large trace change predicted (1.1889e-09%) linmin: converged after 3 iterations. iteration 636: trace = 2.393039432094969 (1.18885e-09% change) linmin: converged after 3 iterations. iteration 637: trace = 2.393039432088299 (2.78753e-10% change) large trace change predicted (9.32952e-10%) linmin: converged after 4 iterations. iteration 638: trace = 2.393039432065974 (9.32887e-10% change) linmin: converged after 4 iterations. iteration 639: trace = 2.393039432058923 (2.94675e-10% change) large trace change predicted (7.03708e-10%) linmin: converged after 4 iterations. iteration 640: trace = 2.393039432042085 (7.03628e-10% change) linmin: converged after 5 iterations. iteration 641: trace = 2.393039432033922 (3.41106e-10% change) large trace change predicted (1.03289e-09%) linmin: converged after 4 iterations. iteration 642: trace = 2.393039432009204 (1.03291e-09% change) linmin: converged after 7 iterations. iteration 643: trace = 2.393039432002259 (2.90221e-10% change) large trace change predicted (9.02837e-10%) linmin: converged after 4 iterations. iteration 644: trace = 2.393039431980654 (9.02806e-10% change) linmin: converged after 4 iterations. iteration 645: trace = 2.393039431967854 (5.34884e-10% change) linmin: converged after 4 iterations. iteration 646: trace = 2.393039431956127 (4.90067e-10% change) linmin: converged after 3 iterations. iteration 647: trace = 2.393039431943941 (5.09237e-10% change) linmin: converged after 4 iterations. iteration 648: trace = 2.393039431933822 (4.22834e-10% change) linmin: converged after 5 iterations. iteration 649: trace = 2.393039431918045 (6.59294e-10% change) linmin: converged after 3 iterations. iteration 650: trace = 2.393039431910478 (3.16202e-10% change) large trace change predicted (6.87596e-10%) linmin: converged after 2 iterations. iteration 651: trace = 2.393039431894024 (6.87594e-10% change) linmin: converged after 4 iterations. iteration 652: trace = 2.393039431888976 (2.10906e-10% change) large trace change predicted (6.46117e-10%) linmin: converged after 4 iterations. iteration 653: trace = 2.393039431873513 (6.46173e-10% change) linmin: converged after 3 iterations. iteration 654: trace = 2.393039431869046 (1.8667e-10% change) linmin: converged after 3 iterations. iteration 655: trace = 2.393039431861681 (3.07795e-10% change) linmin: converged after 4 iterations. iteration 656: trace = 2.393039431858297 (1.41371e-10% change) linmin: converged after 3 iterations. iteration 657: trace = 2.393039431855652 (1.10529e-10% change) linmin: converged after 2 iterations. iteration 658: trace = 2.393039431853484 (9.05979e-11% change) Finished solving for bands 2 to 10 after 658 iterations. tmfreqs:, 10, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 .elapsed time for k point: 11.397590398788452 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21564852632849837 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.2658849785488737 at Vector3<0.0, 0.0, 0.0> to 0.35463024054833514 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Band 3 range: 0.35621423559089177 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517605746 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.36899013666459435 at Vector3<0.0, 0.0, 0.0> to 0.4807484678434126 at Vector3<0.5, 0.5, 0.0> Band 5 range: 0.47790148242444 at Vector3<0.5, 0.0, 0.0> to 0.5073352894289729 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.5065518587485588 at Vector3<0.0, 0.0, 0.0> to 0.5125343692393379 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.5090758743990779 at Vector3<0.5, 0.0, 0.0> to 0.6079200818283415 at Vector3<0.5, 0.5, 0.0> Band 8 range: 0.6150518764797004 at Vector3<0.5, 0.3333333333333333, 0.0> to 0.6356807845994786 at Vector3<0.0, 0.0, 0.0> Band 9 range: 0.6397097609336138 at Vector3<0.5, 0.0, 0.0> to 0.6489078359641686 at Vector3<0.5, 0.5, 0.0> Band 10 range: 0.6468898904440233 at Vector3<0.5, 0.0, 0.0> to 0.6600163326518496 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.21564852632849837) to band 2 (0.2658849785488737), 20.865194928925504% Gap from band 2 (0.35463024054833514) to band 3 (0.35621423559089177), 0.4456657104968165% Gap from band 3 (0.36527833517605746) to band 4 (0.36899013666459435), 1.0110202550934022% Gap from band 7 (0.6079200818283415) to band 8 (0.6150518764797004), 1.1663055073193398% Gap from band 8 (0.6356807845994786) to band 9 (0.6397097609336138), 0.6318027600637545% total elapsed time for run: 203.55406665802002 done /tmp/meepW1wGQn/test_hermitian_eps-0: 203.56s /tmp/meepW1wGQn/test_hole_slab-0 ======================== Initializing eigensolver data Computing 9 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 64. Solving for 9 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 4) Cell volume = 3.4641 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 0.25) Geometric objects: block, center = (0,0,1) size (1e+20,1e+20,2) axes (1,0,0), (0,1,0), (0,0,1) block, center = (0,0,0) size (1e+20,1e+20,0.5) axes (1,0,0), (0,1,0), (0,0,1) cylinder, center = (0,0,0) radius 0.3, height 4, axis (0, 0, 1) Geometric object tree has depth 3 and 41 object nodes (vs. 3 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: zeven. Initializing fields to random numbers... 1 k-points Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> elapsed time for initialization: 0.3094825744628906 solve_kpoint (-0.333333,0.333333,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6, zeven band 7, zeven band 8, zeven band 9 Solving for bands 1 to 9... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 20.14068801126488 (196.16% change) linmin: converged after 12 iterations. iteration 2: trace = 3.299137341812156 (143.7% change) linmin: converged after 5 iterations. iteration 3: trace = 2.669410204363304 (21.1015% change) linmin: converged after 5 iterations. iteration 4: trace = 2.402412493859758 (10.5287% change) linmin: converged after 6 iterations. iteration 5: trace = 2.282088343951353 (5.13712% change) linmin: converged after 5 iterations. iteration 6: trace = 2.228076475135574 (2.39512% change) linmin: converged after 5 iterations. iteration 7: trace = 2.207088432445496 (0.946438% change) linmin: converged after 4 iterations. iteration 8: trace = 2.197424295814844 (0.438829% change) linmin: converged after 4 iterations. iteration 9: trace = 2.193156580040232 (0.194403% change) linmin: converged after 5 iterations. iteration 10: trace = 2.190612639379603 (0.116062% change) linmin: converged after 5 iterations. iteration 11: trace = 2.189324950477872 (0.0587994% change) linmin: converged after 4 iterations. iteration 12: trace = 2.188582973205619 (0.0338964% change) linmin: converged after 4 iterations. iteration 13: trace = 2.188220751657784 (0.0165519% change) linmin: converged after 4 iterations. iteration 14: trace = 2.18806709360426 (0.0070223% change) linmin: converged after 4 iterations. iteration 15: trace = 2.188000083848074 (0.00306256% change) linmin: converged after 4 iterations. iteration 16: trace = 2.187974779563434 (0.00115651% change) linmin: converged after 4 iterations. iteration 17: trace = 2.187966030722312 (0.000399861% change) linmin: converged after 5 iterations. iteration 18: trace = 2.187961616111441 (0.000201768% change) linmin: converged after 4 iterations. iteration 19: trace = 2.187959777341898 (8.40403e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 2.18795888606421 (4.07356e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 2.18795854913431 (1.53993e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 2.18795830248867 (1.12729e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 2.187958133390987 (7.72856e-06% change) linmin: converged after 6 iterations. iteration 24: trace = 2.187958074545616 (2.68951e-06% change) linmin: converged after 8 iterations. iteration 25: trace = 2.187958069787005 (2.17491e-07% change) linmin: converged after 6 iterations. iteration 26: trace = 2.187958069734486 (2.40036e-09% change) linmin: converged after 13 iterations. iteration 27: trace = 2.187958069720166 (6.54476e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 2.187958069713329 (3.12472e-10% change) linmin: converged after 16 iterations. iteration 29: trace = 2.187958069709285 (1.84865e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 2.187958069706379 (1.32783e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 2.187958069704292 (9.53958e-11% change) Finished solving for bands 1 to 9 after 31 iterations. zevenfreqs:, 1, -0.333333, 0.333333, 0, 0.666667, 0.265718, 0.356033, 0.35608, 0.513443, 0.529044, 0.529286, 0.586884, 0.587044, 0.59253 elapsed time for k point: 36.9317626953125 total elapsed time for run: 37.24139738082886 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 FOutputting fields to /tmp/meepW1wGQn/test_hole_slab-0-h.k01.b09.z.zeven.h5... eigensolver iterations for 1 kpoints: 31.0-31.0, mean = 31.0, median = 31.0 mean flops per iteration = 232048195.5483871 mean time per iteration = 1.201335399381576 s /tmp/meepW1wGQn/test_hole_slab-0: 37.31s /tmp/meepW1wGQn/test_honey_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0.166667,0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) cylinder, center = (-0.166667,-0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.005063295364379883 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 14.08603322828973 (195.946% change) linmin: converged after 8 iterations. iteration 2: trace = 4.946841082550788 (96.0359% change) linmin: converged after 5 iterations. iteration 3: trace = 4.48241746998256 (9.85069% change) linmin: converged after 5 iterations. iteration 4: trace = 4.426179454909695 (1.26256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.404732774789117 (0.485718% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393592673653443 (0.253232% change) linmin: converged after 5 iterations. iteration 7: trace = 4.388048069558343 (0.126277% change) linmin: converged after 5 iterations. iteration 8: trace = 4.38601428527724 (0.046359% change) linmin: converged after 4 iterations. iteration 9: trace = 4.385327350069837 (0.0156632% change) linmin: converged after 9 iterations. iteration 10: trace = 4.385030799696041 (0.00676256% change) linmin: converged after 4 iterations. iteration 11: trace = 4.384928986170494 (0.00232187% change) linmin: converged after 4 iterations. iteration 12: trace = 4.384903198780461 (0.000588093% change) linmin: converged after 5 iterations. iteration 13: trace = 4.384897579819459 (0.000128143% change) linmin: converged after 3 iterations. iteration 14: trace = 4.384896578810741 (2.28286e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 4.384896296355381 (6.44155e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.384896163449082 (3.031e-06% change) linmin: converged after 10 iterations. iteration 17: trace = 4.384896108996958 (1.24181e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.384896055181308 (1.2273e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 4.384895970966611 (1.92056e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 4.384895907261884 (1.45282e-06% change) large trace change predicted (4.57064e-06%) linmin: converged after 6 iterations. iteration 21: trace = 4.384895706843848 (4.57065e-06% change) large trace change predicted (5.41038e-05%) linmin: converged after 4 iterations. iteration 22: trace = 4.384893338187603 (5.40185e-05% change) large trace change predicted (0.00028305%) linmin: converged after 6 iterations. iteration 23: trace = 4.38488122850979 (0.000276169% change) linmin: converged after 6 iterations. iteration 24: trace = 4.384874398404389 (0.000155765% change) linmin: converged after 6 iterations. iteration 25: trace = 4.384872500505315 (4.32829e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.38487139540489 (2.52026e-05% change) linmin: converged after 6 iterations. iteration 27: trace = 4.384870693933185 (1.59975e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.384870462005414 (5.28927e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 4.384870388785689 (1.66983e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 4.384870368929108 (4.52843e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 4.38487036240395 (1.48811e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 4.384870359727598 (6.1036e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 4.384870359219343 (1.15911e-08% change) linmin: converged after 15 iterations. iteration 34: trace = 4.384870359145661 (1.68038e-09% change) linmin: converged after 16 iterations. iteration 35: trace = 4.384870359129867 (3.60184e-10% change) linmin: converged after 6 iterations. iteration 36: trace = 4.384870359120826 (2.06201e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 4.384870359115557 (1.20156e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 4.384870359114391 (2.65955e-11% change) Finished solving for bands 2 to 8 after 38 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 elapsed time for k point: 0.26677751541137695 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.39872195316959 (0.785795% change) linmin: converged after 4 iterations. iteration 2: trace = 4.393117340482602 (0.127496% change) linmin: converged after 5 iterations. iteration 3: trace = 4.389343341054762 (0.085944% change) linmin: converged after 3 iterations. iteration 4: trace = 4.386788270014854 (0.0582277% change) linmin: converged after 5 iterations. iteration 5: trace = 4.383878605564439 (0.0663499% change) large trace change predicted (0.244096%) linmin: converged after 6 iterations. iteration 6: trace = 4.374047498704507 (0.224508% change) linmin: converged after 6 iterations. iteration 7: trace = 4.368118502000418 (0.135641% change) linmin: converged after 5 iterations. iteration 8: trace = 4.366002627055881 (0.0484508% change) linmin: converged after 4 iterations. iteration 9: trace = 4.364742799827591 (0.0288596% change) linmin: converged after 4 iterations. iteration 10: trace = 4.364161251791109 (0.0133247% change) linmin: converged after 3 iterations. iteration 11: trace = 4.363987460461447 (0.00398232% change) linmin: converged after 4 iterations. iteration 12: trace = 4.363951770664925 (0.000817829% change) linmin: converged after 8 iterations. iteration 13: trace = 4.363938583669515 (0.000302181% change) linmin: converged after 5 iterations. iteration 14: trace = 4.363930081848147 (0.00019482% change) linmin: converged after 10 iterations. iteration 15: trace = 4.363920378467573 (0.000222354% change) linmin: converged after 5 iterations. iteration 16: trace = 4.363910621653869 (0.000223579% change) linmin: converged after 4 iterations. iteration 17: trace = 4.363903924453787 (0.000153468% change) linmin: converged after 4 iterations. iteration 18: trace = 4.363900915388984 (6.89535e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.363900331098379 (1.33892e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 4.363900186220467 (3.31992e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 4.363900088964371 (2.22865e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 4.363900060699643 (6.47694e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 4.363900055304568 (1.2363e-07% change) linmin: converged after 22 iterations. iteration 24: trace = 4.36390005191299 (7.7719e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 4.363900047515065 (1.0078e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.363900042904714 (1.05647e-07% change) linmin: converged after 3 iterations. iteration 27: trace = 4.363900040389196 (5.76438e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 4.363900039270389 (2.56378e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 4.36390003895554 (7.21484e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.36390003887356 (1.87859e-09% change) linmin: converged after 6 iterations. iteration 31: trace = 4.363900038847101 (6.06332e-10% change) linmin: converged after 18 iterations. iteration 32: trace = 4.363900038835858 (2.57626e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 4.363900038830819 (1.15482e-10% change) linmin: converged after 21 iterations. iteration 34: trace = 4.363900038828964 (4.24968e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0718091, 0.426256, 0.719077, 0.721195, 0.746706, 0.789405, 0.817423, 1.1362 elapsed time for k point: 0.2829453945159912 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.33724433760993 (0.916306% change) linmin: converged after 5 iterations. iteration 2: trace = 4.328998104322972 (0.190307% change) linmin: converged after 5 iterations. iteration 3: trace = 4.326393701640937 (0.0601799% change) linmin: converged after 4 iterations. iteration 4: trace = 4.326044500292315 (0.00807174% change) linmin: converged after 4 iterations. iteration 5: trace = 4.326009019266932 (0.000820176% change) linmin: converged after 5 iterations. iteration 6: trace = 4.325999490808994 (0.00022026% change) linmin: converged after 5 iterations. iteration 7: trace = 4.325995296299604 (9.69605e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.325994594651872 (1.62193e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 4.325994488077121 (2.46359e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.325994468151048 (4.60613e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.325994462562197 (1.29192e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.325994459723794 (6.56127e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.325994458374725 (3.11852e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.325994457749014 (1.4464e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.325994457604777 (3.3342e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.325994457594261 (2.43089e-10% change) linmin: converged after 16 iterations. iteration 17: trace = 4.325994457593165 (2.53355e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.141741, 0.415465, 0.686677, 0.711385, 0.749716, 0.79757, 0.853936, 1.10829 elapsed time for k point: 0.1441020965576172 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.306001070925855 (0.788082% change) linmin: converged after 5 iterations. iteration 2: trace = 4.300360847932597 (0.131071% change) linmin: converged after 5 iterations. iteration 3: trace = 4.298518538321825 (0.04285% change) linmin: converged after 4 iterations. iteration 4: trace = 4.298157359198785 (0.00840276% change) linmin: converged after 6 iterations. iteration 5: trace = 4.298101423772041 (0.00130139% change) linmin: converged after 6 iterations. iteration 6: trace = 4.29808505991654 (0.000380724% change) linmin: converged after 2 iterations. iteration 7: trace = 4.298081361323795 (8.60521e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.298081030130989 (7.7056e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.298080990199844 (9.29046e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.298080980492034 (2.25864e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.298080977563767 (6.81296e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.298080976767697 (1.85215e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.298080976493845 (6.3715e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.298080976439334 (1.26824e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.298080976434353 (1.15907e-10% change) linmin: converged after 5 iterations. iteration 16: trace = 4.298080976434064 (6.71597e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.20751, 0.397084, 0.652562, 0.701411, 0.762486, 0.805503, 0.884623, 1.08016 elapsed time for k point: 0.13580822944641113 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295193771997794 (0.757652% change) linmin: converged after 5 iterations. iteration 2: trace = 4.28900542299773 (0.14418% change) linmin: converged after 5 iterations. iteration 3: trace = 4.286655525617623 (0.0548039% change) linmin: converged after 4 iterations. iteration 4: trace = 4.286149536707248 (0.0118045% change) linmin: converged after 8 iterations. iteration 5: trace = 4.286096391657201 (0.00123993% change) linmin: converged after 5 iterations. iteration 6: trace = 4.286089079043694 (0.000170613% change) linmin: converged after 3 iterations. iteration 7: trace = 4.286087354619917 (4.0233e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.286087144657691 (4.89869e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.286087124718899 (4.65198e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.286087122345822 (5.5367e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.286087121648086 (1.62791e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.286087121456531 (4.46921e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.28608712142735 (6.80833e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.286087121422137 (1.2164e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 4.286087121421345 (1.84636e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.265341, 0.370741, 0.628064, 0.694375, 0.774438, 0.810881, 0.90516, 1.06067 elapsed time for k point: 0.12772655487060547 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295769793792944 (0.789547% change) linmin: converged after 5 iterations. iteration 2: trace = 4.287785198787411 (0.186044% change) linmin: converged after 5 iterations. iteration 3: trace = 4.284595510942269 (0.0744178% change) linmin: converged after 4 iterations. iteration 4: trace = 4.28394415962977 (0.0152033% change) linmin: converged after 4 iterations. iteration 5: trace = 4.283890904445599 (0.00124314% change) linmin: converged after 3 iterations. iteration 6: trace = 4.283887176226487 (8.70288e-05% change) linmin: converged after 20 iterations. iteration 7: trace = 4.283886858681741 (7.41254e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.283886826915916 (7.41519e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.283886821473161 (1.27052e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 4.283886820456614 (2.37296e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.283886820322499 (3.13068e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283886820305654 (3.93201e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.283886820302826 (6.60139e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.29861, 0.348622, 0.619112, 0.691863, 0.779379, 0.812758, 0.912256, 1.05404 elapsed time for k point: 0.11171746253967285 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.289328030396196 (0.255282% change) linmin: converged after 4 iterations. iteration 2: trace = 4.288024760190652 (0.0303886% change) linmin: converged after 4 iterations. iteration 3: trace = 4.287906729392983 (0.00275261% change) linmin: converged after 5 iterations. iteration 4: trace = 4.287891982563938 (0.000343917% change) linmin: converged after 5 iterations. iteration 5: trace = 4.287890045876974 (4.51664e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.287889552037959 (1.15171e-05% change) linmin: converged after 29 iterations. iteration 7: trace = 4.287889502750224 (1.14946e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.287889500347115 (5.60441e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.287889500025852 (7.49233e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.287889499903875 (2.84467e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.287889499875893 (6.52604e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.287889499871683 (9.8162e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.300268, 0.34895, 0.613584, 0.697444, 0.77731, 0.813624, 0.911843, 1.05612 elapsed time for k point: 0.10360455513000488 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.301356803492738 (0.254655% change) linmin: converged after 4 iterations. iteration 2: trace = 4.300043563537614 (0.0305355% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299922855277396 (0.00280718% change) linmin: converged after 5 iterations. iteration 4: trace = 4.299907791777745 (0.000350321% change) linmin: converged after 4 iterations. iteration 5: trace = 4.299905439718406 (5.47002e-05% change) linmin: converged after 18 iterations. iteration 6: trace = 4.29990483034585 (1.41718e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.299904776860712 (1.24387e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.29990477259056 (9.93081e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.299904771447071 (2.65934e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.299904771054305 (9.13429e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.29990477096204 (2.14576e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.299904770944451 (4.09046e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.299904770939909 (1.05634e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.299904770939231 (1.57604e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.305133, 0.349455, 0.601266, 0.710158, 0.771875, 0.815569, 0.910763, 1.06226 elapsed time for k point: 0.11978578567504883 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.321382841090362 (0.254327% change) linmin: converged after 4 iterations. iteration 2: trace = 4.320030166755674 (0.0313068% change) linmin: converged after 5 iterations. iteration 3: trace = 4.319900410607524 (0.00300364% change) linmin: converged after 5 iterations. iteration 4: trace = 4.319883445006697 (0.000392732% change) linmin: converged after 5 iterations. iteration 5: trace = 4.319880164551648 (7.59385e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.319879323285336 (1.94743e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.319879250560538 (1.68349e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.319879235729276 (3.43326e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.319879227958101 (1.79893e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.319879225421851 (5.87111e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.319879224813203 (1.40895e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.319879224663672 (3.46146e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.319879224626949 (8.50085e-10% change) linmin: converged after 6 iterations. iteration 14: trace = 4.319879224622891 (9.39398e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.312896, 0.348732, 0.588291, 0.724572, 0.764453, 0.817539, 0.909459, 1.0721 elapsed time for k point: 0.11965131759643555 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.349129535371265 (0.255944% change) linmin: converged after 4 iterations. iteration 2: trace = 4.347666951090093 (0.033635% change) linmin: converged after 4 iterations. iteration 3: trace = 4.34751240108587 (0.00355484% change) linmin: converged after 4 iterations. iteration 4: trace = 4.347489679972055 (0.000522625% change) linmin: converged after 5 iterations. iteration 5: trace = 4.347484415105923 (0.000121101% change) linmin: converged after 5 iterations. iteration 6: trace = 4.347482964576367 (3.33648e-05% change) linmin: converged after 7 iterations. iteration 7: trace = 4.347482711409516 (5.8233e-06% change) linmin: converged after 17 iterations. iteration 8: trace = 4.347482493192534 (5.01939e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.347482344420547 (3.42203e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.347482298963948 (1.04558e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.347482289718706 (2.12657e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.347482287039395 (6.1629e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.347482286361 (1.56043e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.347482286300158 (1.39948e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.347482286295715 (1.02189e-10% change) linmin: converged after 9 iterations. iteration 16: trace = 4.347482286295497 (5.02571e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.323089, 0.344682, 0.578717, 0.737675, 0.756131, 0.818898, 0.9085, 1.08513 elapsed time for k point: 0.1362168788909912 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.383709611540295 (0.261984% change) linmin: converged after 4 iterations. iteration 2: trace = 4.382001036499514 (0.0389831% change) linmin: converged after 4 iterations. iteration 3: trace = 4.381788780264022 (0.00484394% change) linmin: converged after 5 iterations. iteration 4: trace = 4.38175071586082 (0.000868699% change) linmin: converged after 5 iterations. iteration 5: trace = 4.381738092899782 (0.000288081% change) linmin: converged after 6 iterations. iteration 6: trace = 4.381730455729494 (0.000174296% change) linmin: converged after 5 iterations. iteration 7: trace = 4.381717816258991 (0.000288459% change) large trace change predicted (0.00139713%) linmin: converged after 4 iterations. iteration 8: trace = 4.38165691917979 (0.00138981% change) large trace change predicted (0.0051514%) linmin: converged after 4 iterations. iteration 9: trace = 4.381441330734376 (0.00492037% change) linmin: converged after 5 iterations. iteration 10: trace = 4.381282131279505 (0.00363356% change) linmin: converged after 4 iterations. iteration 11: trace = 4.381241296825388 (0.000932025% change) linmin: converged after 4 iterations. iteration 12: trace = 4.381221871387284 (0.000443378% change) linmin: converged after 3 iterations. iteration 13: trace = 4.381216164335713 (0.000130262% change) linmin: converged after 4 iterations. iteration 14: trace = 4.381215701244823 (1.05699e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.381215670929222 (6.91945e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 4.381215668899543 (4.63268e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 4.381215668422751 (1.08826e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 4.381215668185725 (5.41004e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 4.381215667875738 (7.07538e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 4.381215667457719 (9.54117e-09% change) large trace change predicted (2.89871e-08%) linmin: converged after 2 iterations. iteration 21: trace = 4.381215666187728 (2.89872e-08% change) large trace change predicted (1.22559e-07%) linmin: converged after 3 iterations. iteration 22: trace = 4.381215660818166 (1.22559e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 4.381215657974614 (6.49033e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 4.381215657571817 (9.19372e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 4.381215657498218 (1.67987e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.381215657480992 (3.93184e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.3812156574761 (1.1164e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 4.381215657475527 (1.3096e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.335117, 0.335185, 0.575171, 0.747622, 0.747877, 0.819365, 0.908267, 1.10053 elapsed time for k point: 0.2330610752105713 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.33178609007884 (0.980962% change) linmin: converged after 5 iterations. iteration 2: trace = 4.325045837960241 (0.155721% change) linmin: converged after 4 iterations. iteration 3: trace = 4.323282384521807 (0.0407814% change) linmin: converged after 4 iterations. iteration 4: trace = 4.32280172667314 (0.0111185% change) linmin: converged after 4 iterations. iteration 5: trace = 4.322744261437426 (0.00132936% change) linmin: converged after 9 iterations. iteration 6: trace = 4.322738562405234 (0.000131838% change) linmin: converged after 5 iterations. iteration 7: trace = 4.32273763909649 (2.13593e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 4.32273737331525 (6.14845e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.322737323966316 (1.14161e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.32273732030562 (8.46847e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.322737319841385 (1.07394e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.322737319507409 (7.72602e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 4.322737319388517 (2.75038e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.32273731937767 (2.50936e-10% change) linmin: converged after 7 iterations. iteration 15: trace = 4.322737319376866 (1.85947e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.29626, 0.362261, 0.589196, 0.732899, 0.756464, 0.817346, 0.906977, 1.07543 elapsed time for k point: 0.12842488288879395 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.307332591894918 (0.923129% change) linmin: converged after 4 iterations. iteration 2: trace = 4.302220684616568 (0.11875% change) linmin: converged after 4 iterations. iteration 3: trace = 4.3011355612838 (0.0252256% change) linmin: converged after 4 iterations. iteration 4: trace = 4.300888756572933 (0.00573829% change) linmin: converged after 5 iterations. iteration 5: trace = 4.300856819860766 (0.000742564% change) linmin: converged after 8 iterations. iteration 6: trace = 4.300852819316746 (9.30174e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.300851758232626 (2.46715e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.300851520938101 (5.51738e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.300851493117168 (6.4687e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.30085149150501 (3.74846e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.300851491410824 (2.18994e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.300851491406213 (1.072e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.300851491405952 (6.07146e-12% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.235812, 0.389044, 0.624419, 0.723246, 0.753158, 0.811064, 0.894195, 1.07529 elapsed time for k point: 0.11171412467956543 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.324349374012133 (0.940312% change) linmin: converged after 4 iterations. iteration 2: trace = 4.318854387768274 (0.127152% change) linmin: converged after 4 iterations. iteration 3: trace = 4.317434132377112 (0.0328904% change) linmin: converged after 4 iterations. iteration 4: trace = 4.317148349406462 (0.0066195% change) linmin: converged after 4 iterations. iteration 5: trace = 4.317118057908583 (0.000701658% change) linmin: converged after 5 iterations. iteration 6: trace = 4.317114586098954 (8.04196e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.317113326114091 (2.91858e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.317112957372539 (8.54139e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.317112903543084 (1.24689e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.31711289731494 (1.44266e-07% change) linmin: converged after 15 iterations. iteration 11: trace = 4.317112896825685 (1.13329e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.31711289679096 (8.0436e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.317112896788794 (5.0158e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.162664, 0.41101, 0.66948, 0.720558, 0.745707, 0.801251, 0.86394, 1.09993 elapsed time for k point: 0.11165308952331543 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.370612521887676 (1.0309% change) linmin: converged after 3 iterations. iteration 2: trace = 4.362179672344737 (0.193131% change) linmin: converged after 5 iterations. iteration 3: trace = 4.358935647496759 (0.0743947% change) linmin: converged after 4 iterations. iteration 4: trace = 4.35836421679374 (0.0131103% change) linmin: converged after 4 iterations. iteration 5: trace = 4.358306058549729 (0.00133441% change) linmin: converged after 4 iterations. iteration 6: trace = 4.358298660455428 (0.000169747% change) linmin: converged after 5 iterations. iteration 7: trace = 4.358297720839166 (2.15592e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.358297586070671 (3.09223e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.358297546325382 (9.11945e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.358297522360148 (5.49876e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.358297517194554 (1.18523e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.358297516480515 (1.63834e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.358297516296374 (4.22506e-09% change) linmin: converged after 6 iterations. iteration 14: trace = 4.358297516225994 (1.61485e-09% change) linmin: converged after 14 iterations. iteration 15: trace = 4.358297516215985 (2.29651e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.358297516212389 (8.25147e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0828005, 0.425068, 0.71283, 0.723369, 0.744337, 0.790724, 0.823156, 1.13248 elapsed time for k point: 0.13591742515563965 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.411986819853231 (1.21496% change) linmin: converged after 5 iterations. iteration 2: trace = 4.395278738318587 (0.379416% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386670154538987 (0.196052% change) linmin: converged after 4 iterations. iteration 4: trace = 4.385375435085725 (0.0295192% change) linmin: converged after 4 iterations. iteration 5: trace = 4.385158037461176 (0.00495745% change) linmin: converged after 6 iterations. iteration 6: trace = 4.385115462211113 (0.000970899% change) linmin: converged after 4 iterations. iteration 7: trace = 4.385101645836657 (0.000315075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.385091804775303 (0.000224421% change) linmin: converged after 5 iterations. iteration 9: trace = 4.385087112979725 (0.000106994% change) linmin: converged after 3 iterations. iteration 10: trace = 4.385086288853219 (1.87938e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.385086150105527 (3.16408e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.385086139697299 (2.37355e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.385086139058144 (1.45757e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.385086138940974 (2.67202e-09% change) large trace change predicted (7.99164e-09%) linmin: converged after 3 iterations. iteration 15: trace = 4.38508613859053 (7.99171e-09% change) large trace change predicted (6.9914e-08%) linmin: converged after 3 iterations. iteration 16: trace = 4.38508613552473 (6.99142e-08% change) large trace change predicted (2.9969e-07%) linmin: converged after 4 iterations. iteration 17: trace = 4.38508612238295 (2.99693e-07% change) large trace change predicted (1.05374e-06%) linmin: converged after 6 iterations. iteration 18: trace = 4.385086076178334 (1.05368e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 19: trace = 4.385075349565422 (0.000244616% change) linmin: converged after 6 iterations. iteration 20: trace = 4.385074738007726 (1.39463e-05% change) linmin: converged after 8 iterations. iteration 21: trace = 4.385074118535321 (1.41268e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 4.385073485047799 (1.44465e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.385072826267843 (1.50232e-05% change) linmin: converged after 6 iterations. iteration 24: trace = 4.38507212877432 (1.59061e-05% change) linmin: converged after 6 iterations. iteration 25: trace = 4.385071377334686 (1.71363e-05% change) linmin: converged after 7 iterations. iteration 26: trace = 4.3850705544558 (1.87655e-05% change) linmin: converged after 6 iterations. iteration 27: trace = 4.385069639903859 (2.0856e-05% change) linmin: converged after 6 iterations. iteration 28: trace = 4.385068610845132 (2.34673e-05% change) linmin: converged after 6 iterations. iteration 29: trace = 4.385067443801991 (2.6614e-05% change) linmin: converged after 7 iterations. iteration 30: trace = 4.385066120629829 (3.01745e-05% change) linmin: converged after 7 iterations. iteration 31: trace = 4.385064640997379 (3.37425e-05% change) linmin: converged after 8 iterations. iteration 32: trace = 4.385063039116249 (3.65304e-05% change) linmin: converged after 8 iterations. iteration 33: trace = 4.385061389255985 (3.76246e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 4.385059781328263 (3.66683e-05% change) linmin: converged after 6 iterations. iteration 35: trace = 4.385058281268641 (3.42084e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 4.385056914274159 (3.11739e-05% change) linmin: converged after 9 iterations. iteration 37: trace = 4.385055675702984 (2.82453e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 4.385054548008789 (2.57168e-05% change) linmin: converged after 6 iterations. iteration 39: trace = 4.385053511464315 (2.36381e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 4.385052548678724 (2.19561e-05% change) linmin: converged after 5 iterations. iteration 41: trace = 4.385051645794535 (2.059e-05% change) linmin: converged after 5 iterations. iteration 42: trace = 4.385050792345329 (1.94627e-05% change) linmin: converged after 7 iterations. iteration 43: trace = 4.385049980701135 (1.85093e-05% change) linmin: converged after 6 iterations. iteration 44: trace = 4.385049205460865 (1.76792e-05% change) linmin: converged after 5 iterations. iteration 45: trace = 4.385048462908464 (1.69337e-05% change) linmin: converged after 13 iterations. iteration 46: trace = 4.385047750558973 (1.6245e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 4.385047066795874 (1.55931e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 4.385046410565238 (1.49652e-05% change) linmin: converged after 8 iterations. iteration 49: trace = 4.385045781176646 (1.43531e-05% change) linmin: converged after 8 iterations. iteration 50: trace = 4.385045178120627 (1.37526e-05% change) linmin: converged after 7 iterations. iteration 51: trace = 4.385044600962407 (1.3162e-05% change) linmin: converged after 6 iterations. iteration 52: trace = 4.385044049230443 (1.25821e-05% change) linmin: converged after 6 iterations. iteration 53: trace = 4.385043522433588 (1.20135e-05% change) linmin: converged after 6 iterations. iteration 54: trace = 4.385043019941606 (1.14592e-05% change) linmin: converged after 4 iterations. iteration 55: trace = 4.385042541091561 (1.09201e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 4.385042085091699 (1.0399e-05% change) linmin: converged after 8 iterations. iteration 57: trace = 4.385041651106472 (9.89695e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 4.385041238234374 (9.41547e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 4.385040845534383 (8.95545e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 4.385040472042208 (8.51742e-06% change) linmin: converged after 7 iterations. iteration 61: trace = 4.385040116787176 (8.10152e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 4.385039778797042 (7.7078e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 4.385039457120369 (7.33578e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 4.385039150827112 (6.98496e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 4.385038859017531 (6.65466e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 4.385038580824182 (6.34415e-06% change) linmin: converged after 5 iterations. iteration 67: trace = 4.385038315419179 (6.05251e-06% change) linmin: converged after 6 iterations. iteration 68: trace = 4.385038062013681 (5.77887e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 4.385037819858024 (5.52232e-06% change) resetting CG direction... large trace change predicted (0.00313311%) linmin: converged after 4 iterations. iteration 70: trace = 4.384900321460127 (0.00313568% change) linmin: converged after 4 iterations. iteration 71: trace = 4.384884250605474 (0.000366505% change) linmin: converged after 8 iterations. iteration 72: trace = 4.384873437826183 (0.000246592% change) linmin: converged after 4 iterations. iteration 73: trace = 4.384870687778095 (6.27167e-05% change) linmin: converged after 10 iterations. iteration 74: trace = 4.384870449131392 (5.4425e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 4.384870415757627 (7.61112e-07% change) linmin: converged after 4 iterations. iteration 76: trace = 4.384870401095743 (3.34374e-07% change) linmin: converged after 2 iterations. iteration 77: trace = 4.384870393483354 (1.73606e-07% change) linmin: converged after 3 iterations. iteration 78: trace = 4.384870389502801 (9.07793e-08% change) linmin: converged after 12 iterations. iteration 79: trace = 4.384870388331894 (2.67033e-08% change) linmin: converged after 3 iterations. iteration 80: trace = 4.384870388226362 (2.40672e-09% change) linmin: converged after 4 iterations. iteration 81: trace = 4.384870388199444 (6.13904e-10% change) large trace change predicted (3.52792e-09%) linmin: converged after 8 iterations. iteration 82: trace = 4.384870388044712 (3.52876e-09% change) large trace change predicted (3.76874e-08%) linmin: converged after 4 iterations. iteration 83: trace = 4.384870386392167 (3.76874e-08% change) large trace change predicted (1.54194e-07%) linmin: converged after 4 iterations. iteration 84: trace = 4.384870379631048 (1.54192e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 4.384870373398045 (1.42148e-07% change) linmin: converged after 4 iterations. iteration 86: trace = 4.384870369284334 (9.3816e-08% change) linmin: converged after 8 iterations. iteration 87: trace = 4.384870363569746 (1.30325e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 4.384870360428643 (7.1635e-08% change) linmin: converged after 23 iterations. iteration 89: trace = 4.38487035958171 (1.93149e-08% change) linmin: converged after 5 iterations. iteration 90: trace = 4.38487035918898 (8.95647e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 4.384870359114193 (1.70558e-09% change) linmin: converged after 3 iterations. iteration 92: trace = 4.384870359106888 (1.66581e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 4.384870359106228 (1.50701e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 elapsed time for k point: 0.6403870582580566 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354987 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.3351850759916973 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.4298481123781643 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.575170934543145 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261706 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6918627724774274 at Vector3<0.0, 0.5, 0.0> to 0.7476220778306564 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7443374497087799 at Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> to 0.7793792212092521 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.7852786984418486 at Vector3<0.0, 0.0, 0.0> to 0.8193652861712541 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.7856577771856609 at Vector3<0.0, 0.0, 0.0> to 0.9122560439014188 at Vector3<0.0, 0.5, 0.0> Band 8 range: 1.0540350508135103 at Vector3<0.0, 0.5, 0.0> to 1.149276938923418 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.3351167660354987) to band 2 (0.3351850759916973), 0.02038184946410512% Gap from band 2 (0.4298481123781643) to band 3 (0.575170934543145), 28.919416524522685% Gap from band 5 (0.7793792212092521) to band 6 (0.7852786984418486), 0.7540916335133561% Gap from band 7 (0.9122560439014188) to band 8 (1.0540350508135103), 14.420958045649545% total elapsed time for run: 2.915844440460205 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0.166667,0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) cylinder, center = (-0.166667,-0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0047342777252197266 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 17.92607897538316 (194.877% change) linmin: converged after 7 iterations. iteration 2: trace = 7.881119914880882 (77.8462% change) linmin: converged after 5 iterations. iteration 3: trace = 6.848510109177971 (14.0209% change) linmin: converged after 8 iterations. iteration 4: trace = 6.58888652363343 (3.86419% change) linmin: converged after 4 iterations. iteration 5: trace = 6.523769424456603 (0.993195% change) linmin: converged after 4 iterations. iteration 6: trace = 6.496465469606455 (0.419408% change) linmin: converged after 5 iterations. iteration 7: trace = 6.483109823796831 (0.205795% change) linmin: converged after 5 iterations. iteration 8: trace = 6.474893456011182 (0.126815% change) linmin: converged after 4 iterations. iteration 9: trace = 6.472166897113426 (0.0421186% change) linmin: converged after 4 iterations. iteration 10: trace = 6.470881087997773 (0.0198687% change) linmin: converged after 4 iterations. iteration 11: trace = 6.470157573744077 (0.0111817% change) linmin: converged after 4 iterations. iteration 12: trace = 6.469608843971025 (0.00848129% change) linmin: converged after 4 iterations. iteration 13: trace = 6.469122408654089 (0.00751906% change) linmin: converged after 5 iterations. iteration 14: trace = 6.468841027068675 (0.0043497% change) linmin: converged after 5 iterations. iteration 15: trace = 6.468666577909501 (0.0026968% change) linmin: converged after 6 iterations. iteration 16: trace = 6.468592519451596 (0.00114489% change) linmin: converged after 4 iterations. iteration 17: trace = 6.468566795432338 (0.000397676% change) linmin: converged after 4 iterations. iteration 18: trace = 6.468554711940441 (0.000186803% change) linmin: converged after 5 iterations. iteration 19: trace = 6.468546490014279 (0.000127106% change) linmin: converged after 3 iterations. iteration 20: trace = 6.468532135358372 (0.000221915% change) large trace change predicted (0.00051345%) linmin: converged after 3 iterations. iteration 21: trace = 6.468498926664918 (0.00051339% change) large trace change predicted (0.00142191%) linmin: converged after 4 iterations. iteration 22: trace = 6.468407161824648 (0.00141865% change) large trace change predicted (0.00515645%) linmin: converged after 4 iterations. iteration 23: trace = 6.468086335206121 (0.00496002% change) large trace change predicted (0.0109938%) linmin: converged after 9 iterations. iteration 24: trace = 6.467419876388842 (0.0103043% change) linmin: converged after 5 iterations. iteration 25: trace = 6.466887403807684 (0.00823349% change) linmin: converged after 4 iterations. iteration 26: trace = 6.466640789874208 (0.00381356% change) linmin: converged after 5 iterations. iteration 27: trace = 6.466547272919044 (0.00144615% change) linmin: converged after 8 iterations. iteration 28: trace = 6.466507039003853 (0.000622187% change) linmin: converged after 3 iterations. iteration 29: trace = 6.466489937741382 (0.000264459% change) linmin: converged after 3 iterations. iteration 30: trace = 6.46648347316932 (9.99704e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.466478920811084 (7.03993e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.466475299916052 (5.59949e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 6.466472640146883 (4.11317e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 6.466470979756371 (2.56769e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 6.466469915056882 (1.64649e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 6.466469179616224 (1.13731e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.466468751725077 (6.61708e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 6.466468412459447 (5.24654e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 6.466467929860094 (7.46311e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 6.466467100421671 (1.28268e-05% change) large trace change predicted (2.85188e-05%) linmin: converged after 5 iterations. iteration 41: trace = 6.466465255871319 (2.85249e-05% change) large trace change predicted (6.2393e-05%) linmin: converged after 12 iterations. iteration 42: trace = 6.466461220016718 (6.24121e-05% change) large trace change predicted (0.000157529%) linmin: converged after 5 iterations. iteration 43: trace = 6.466451030013198 (0.000157583% change) linmin: converged after 8 iterations. iteration 44: trace = 6.466433013343262 (0.000278618% change) linmin: converged after 11 iterations. iteration 45: trace = 6.466416782675443 (0.000250999% change) linmin: converged after 6 iterations. iteration 46: trace = 6.466409490537222 (0.000112769% change) linmin: converged after 5 iterations. iteration 47: trace = 6.466406899778063 (4.00649e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 6.466406094482978 (1.24535e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.466405844617033 (3.86406e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 6.466405769911718 (1.15528e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 6.466405747186323 (3.51438e-07% change) linmin: converged after 2 iterations. iteration 52: trace = 6.466405738001231 (1.42043e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 6.466405731543694 (9.98628e-08% change) linmin: converged after 6 iterations. iteration 54: trace = 6.466405724924827 (1.02358e-07% change) linmin: converged after 2 iterations. iteration 55: trace = 6.466405718053085 (1.06268e-07% change) linmin: converged after 6 iterations. iteration 56: trace = 6.466405713280893 (7.37998e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.466405709713481 (5.51684e-08% change) linmin: converged after 4 iterations. iteration 58: trace = 6.466405707042507 (4.13054e-08% change) linmin: converged after 3 iterations. iteration 59: trace = 6.466405704136204 (4.49447e-08% change) linmin: converged after 2 iterations. iteration 60: trace = 6.46640569909149 (7.80142e-08% change) large trace change predicted (1.56038e-07%) linmin: converged after 2 iterations. iteration 61: trace = 6.466405689001407 (1.56039e-07% change) large trace change predicted (3.74448e-07%) linmin: converged after 4 iterations. iteration 62: trace = 6.466405664787848 (3.74452e-07% change) linmin: converged after 5 iterations. iteration 63: trace = 6.466405627490712 (5.76783e-07% change) linmin: converged after 5 iterations. iteration 64: trace = 6.466405586876407 (6.28082e-07% change) linmin: converged after 18 iterations. iteration 65: trace = 6.466405565064809 (3.37306e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.466405555907937 (1.41607e-07% change) linmin: converged after 9 iterations. iteration 67: trace = 6.466405552605489 (5.10708e-08% change) linmin: converged after 2 iterations. iteration 68: trace = 6.466405551335088 (1.96462e-08% change) linmin: converged after 4 iterations. iteration 69: trace = 6.466405550799625 (8.28069e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.466405550642812 (2.42503e-09% change) linmin: converged after 3 iterations. iteration 71: trace = 6.466405550504243 (2.14291e-09% change) linmin: converged after 4 iterations. iteration 72: trace = 6.466405550445633 (9.06377e-10% change) linmin: converged after 6 iterations. iteration 73: trace = 6.466405550415099 (4.72191e-10% change) linmin: converged after 7 iterations. iteration 74: trace = 6.466405550384131 (4.78908e-10% change) linmin: converged after 6 iterations. iteration 75: trace = 6.466405550352297 (4.923e-10% change) large trace change predicted (1.03831e-09%) linmin: converged after 2 iterations. iteration 76: trace = 6.466405550285166 (1.03815e-09% change) large trace change predicted (2.1593e-09%) linmin: converged after 7 iterations. iteration 77: trace = 6.466405550145531 (2.15939e-09% change) large trace change predicted (4.87077e-09%) linmin: converged after 6 iterations. iteration 78: trace = 6.466405549830565 (4.8708e-09% change) linmin: converged after 2 iterations. iteration 79: trace = 6.466405549268597 (8.69058e-09% change) linmin: converged after 3 iterations. iteration 80: trace = 6.466405548565387 (1.08748e-08% change) linmin: converged after 3 iterations. iteration 81: trace = 6.466405547892046 (1.04129e-08% change) linmin: converged after 12 iterations. iteration 82: trace = 6.466405547383352 (7.86673e-09% change) linmin: converged after 3 iterations. iteration 83: trace = 6.466405546955704 (6.61338e-09% change) linmin: converged after 14 iterations. iteration 84: trace = 6.466405546504886 (6.97169e-09% change) linmin: converged after 4 iterations. iteration 85: trace = 6.466405546056891 (6.92803e-09% change) linmin: converged after 5 iterations. iteration 86: trace = 6.466405545724367 (5.14233e-09% change) linmin: converged after 5 iterations. iteration 87: trace = 6.466405545536917 (2.89883e-09% change) linmin: converged after 6 iterations. iteration 88: trace = 6.466405545461624 (1.16437e-09% change) linmin: converged after 3 iterations. iteration 89: trace = 6.466405545440898 (3.20526e-10% change) linmin: converged after 3 iterations. iteration 90: trace = 6.466405545434194 (1.03674e-10% change) linmin: converged after 13 iterations. iteration 91: trace = 6.466405545431819 (3.67281e-11% change) Finished solving for bands 2 to 8 after 91 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 elapsed time for k point: 0.6277360916137695 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.464067056590824 (0.950104% change) linmin: converged after 5 iterations. iteration 2: trace = 6.434765703898417 (0.454326% change) linmin: converged after 4 iterations. iteration 3: trace = 6.415644747050026 (0.297593% change) linmin: converged after 5 iterations. iteration 4: trace = 6.394653601783419 (0.327723% change) linmin: converged after 5 iterations. iteration 5: trace = 6.384220858899397 (0.163281% change) linmin: converged after 4 iterations. iteration 6: trace = 6.377901271023338 (0.0990366% change) linmin: converged after 4 iterations. iteration 7: trace = 6.375261061377508 (0.0414048% change) linmin: converged after 4 iterations. iteration 8: trace = 6.373625085248554 (0.0256646% change) linmin: converged after 4 iterations. iteration 9: trace = 6.372011047100322 (0.0253269% change) linmin: converged after 4 iterations. iteration 10: trace = 6.37046245812588 (0.0243059% change) linmin: converged after 5 iterations. iteration 11: trace = 6.369069011274151 (0.021876% change) linmin: converged after 4 iterations. iteration 12: trace = 6.368402519798385 (0.0104651% change) linmin: converged after 3 iterations. iteration 13: trace = 6.368153913628575 (0.00390382% change) linmin: converged after 3 iterations. iteration 14: trace = 6.36804652907556 (0.00168629% change) linmin: converged after 4 iterations. iteration 15: trace = 6.368001436745334 (0.000708106% change) linmin: converged after 5 iterations. iteration 16: trace = 6.367977391405118 (0.000377597% change) linmin: converged after 5 iterations. iteration 17: trace = 6.367957304366107 (0.000315439% change) linmin: converged after 4 iterations. iteration 18: trace = 6.367940626640832 (0.000261901% change) linmin: converged after 4 iterations. iteration 19: trace = 6.367929610020274 (0.000173001% change) linmin: converged after 5 iterations. iteration 20: trace = 6.367922428072981 (0.000112783% change) linmin: converged after 5 iterations. iteration 21: trace = 6.367918388191799 (6.34411e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 6.367915639595108 (4.31632e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 6.367913674058459 (3.08663e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 6.36791224832589 (2.23893e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 6.367910983141521 (1.98681e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 6.367910002777258 (1.53954e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.367909483374781 (8.15656e-06% change) linmin: converged after 6 iterations. iteration 28: trace = 6.367909240413447 (3.8154e-06% change) linmin: converged after 9 iterations. iteration 29: trace = 6.367909155903633 (1.32712e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 6.367909122692632 (5.21537e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 6.36790910376857 (2.97179e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 6.367909090578836 (2.07128e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 6.367909079278466 (1.77458e-07% change) linmin: converged after 6 iterations. iteration 34: trace = 6.367909068649076 (1.66921e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 6.367909061036282 (1.19549e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 6.367909056621873 (6.93227e-08% change) linmin: converged after 17 iterations. iteration 37: trace = 6.367909054297126 (3.65072e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 6.367909052624204 (2.62711e-08% change) linmin: converged after 3 iterations. iteration 39: trace = 6.367909051314674 (2.05645e-08% change) linmin: converged after 3 iterations. iteration 40: trace = 6.367909050370921 (1.48205e-08% change) linmin: converged after 14 iterations. iteration 41: trace = 6.367909049791781 (9.09467e-09% change) linmin: converged after 15 iterations. iteration 42: trace = 6.3679090494182 (5.86661e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 6.367909049257633 (2.52151e-09% change) linmin: converged after 15 iterations. iteration 44: trace = 6.367909049201545 (8.80785e-10% change) linmin: converged after 4 iterations. iteration 45: trace = 6.367909049182628 (2.97073e-10% change) linmin: converged after 4 iterations. iteration 46: trace = 6.367909049171288 (1.78071e-10% change) linmin: converged after 16 iterations. iteration 47: trace = 6.367909049158718 (1.97402e-10% change) linmin: converged after 3 iterations. iteration 48: trace = 6.367909049144642 (2.21044e-10% change) linmin: converged after 3 iterations. iteration 49: trace = 6.367909049133673 (1.72254e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 6.367909049127854 (9.13855e-11% change) Finished solving for bands 1 to 8 after 50 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.10214, 0.723854, 0.784332, 0.900771, 0.902155, 1.03144, 1.03948, 1.2036 elapsed time for k point: 0.41261792182922363 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 13 iterations. iteration 1: trace = 6.320003260600005 (0.45358% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311018991299646 (0.142257% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308745252008086 (0.0360346% change) linmin: converged after 3 iterations. iteration 4: trace = 6.307868874483709 (0.0138924% change) linmin: converged after 3 iterations. iteration 5: trace = 6.307557660640077 (0.00493386% change) linmin: converged after 3 iterations. iteration 6: trace = 6.307472354504609 (0.00135245% change) linmin: converged after 6 iterations. iteration 7: trace = 6.307433279783057 (0.000619501% change) linmin: converged after 3 iterations. iteration 8: trace = 6.30742018930048 (0.000207541% change) linmin: converged after 3 iterations. iteration 9: trace = 6.3074149042047 (8.37918e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 6.307412046921513 (4.53004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.307410415158972 (2.58706e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 6.307409446531589 (1.5357e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.307408968969254 (7.57145e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 6.307408722233316 (3.91184e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 6.307408593328486 (2.04371e-06% change) linmin: converged after 7 iterations. iteration 16: trace = 6.307408549531675 (6.94371e-07% change) linmin: converged after 22 iterations. iteration 17: trace = 6.307408534807223 (2.33447e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.307408529970343 (7.66857e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 6.307408528488402 (2.34952e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 6.307408528005174 (7.66127e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 6.307408527853791 (2.40008e-09% change) linmin: converged after 5 iterations. iteration 22: trace = 6.307408527794085 (9.46615e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 6.307408527756511 (5.95704e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 6.307408527736832 (3.12004e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 6.307408527727547 (1.47208e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 6.307408527722552 (7.91803e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.203735, 0.707761, 0.769484, 0.867508, 0.869257, 1.05383, 1.07964, 1.17834 elapsed time for k point: 0.2172713279724121 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.297463613024783 (0.437255% change) linmin: converged after 9 iterations. iteration 2: trace = 6.286946394771832 (0.167147% change) linmin: converged after 3 iterations. iteration 3: trace = 6.284028604059827 (0.0464211% change) linmin: converged after 4 iterations. iteration 4: trace = 6.282826267184114 (0.019135% change) linmin: converged after 3 iterations. iteration 5: trace = 6.282353152590662 (0.00753057% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282211510434683 (0.00225463% change) linmin: converged after 4 iterations. iteration 7: trace = 6.282108077529337 (0.00164645% change) linmin: converged after 4 iterations. iteration 8: trace = 6.282049428305764 (0.000933596% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282007604384609 (0.000665771% change) linmin: converged after 3 iterations. iteration 10: trace = 6.281988929449425 (0.000297277% change) linmin: converged after 5 iterations. iteration 11: trace = 6.281981237844932 (0.000122439% change) linmin: converged after 6 iterations. iteration 12: trace = 6.281976759972098 (7.12812e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 6.281973995724727 (4.40028e-05% change) linmin: converged after 12 iterations. iteration 14: trace = 6.281972494607887 (2.38956e-05% change) linmin: converged after 14 iterations. iteration 15: trace = 6.281971806094749 (1.09601e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.281971630844392 (2.78973e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 6.281971579295188 (8.2059e-07% change) linmin: converged after 13 iterations. iteration 18: trace = 6.281971566101338 (2.10027e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 6.281971562304185 (6.04452e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 6.28197156080664 (2.38388e-08% change) linmin: converged after 24 iterations. iteration 21: trace = 6.281971560352634 (7.22712e-09% change) linmin: converged after 22 iterations. iteration 22: trace = 6.28197156018631 (2.64764e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 6.281971560120149 (1.05319e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 6.281971560091677 (4.53239e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 6.281971560080311 (1.80917e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 6.281971560075128 (8.25125e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.304067, 0.663675, 0.75048, 0.840899, 0.85049, 1.07273, 1.11526, 1.16655 elapsed time for k point: 0.21770477294921875 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.300840158363584 (0.430756% change) linmin: converged after 6 iterations. iteration 2: trace = 6.289206684350912 (0.184804% change) linmin: converged after 3 iterations. iteration 3: trace = 6.28605026983065 (0.0502004% change) linmin: converged after 4 iterations. iteration 4: trace = 6.284751976797194 (0.0206557% change) linmin: converged after 4 iterations. iteration 5: trace = 6.284072271307775 (0.0108157% change) linmin: converged after 4 iterations. iteration 6: trace = 6.283704056615337 (0.00585966% change) linmin: converged after 4 iterations. iteration 7: trace = 6.283258527033477 (0.00709049% change) linmin: converged after 4 iterations. iteration 8: trace = 6.283014882139039 (0.00387776% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282869782341482 (0.00230942% change) linmin: converged after 4 iterations. iteration 10: trace = 6.282800167347826 (0.00110802% change) linmin: converged after 5 iterations. iteration 11: trace = 6.282747004996389 (0.000846161% change) linmin: converged after 4 iterations. iteration 12: trace = 6.282703557062472 (0.000691546% change) linmin: converged after 4 iterations. iteration 13: trace = 6.282682229335335 (0.000339468% change) linmin: converged after 5 iterations. iteration 14: trace = 6.282675130393072 (0.000112992% change) linmin: converged after 3 iterations. iteration 15: trace = 6.282672608965453 (4.0133e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.282672096548713 (8.15603e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 6.282671912329278 (2.93218e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 6.282671841190033 (1.13231e-06% change) linmin: converged after 17 iterations. iteration 19: trace = 6.282671801233791 (6.35975e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.282671779010515 (3.53723e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.282671770784771 (1.30927e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 6.282671767753023 (4.82557e-08% change) linmin: converged after 14 iterations. iteration 23: trace = 6.282671766763944 (1.5743e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 6.282671766458805 (4.85684e-09% change) linmin: converged after 7 iterations. iteration 25: trace = 6.282671766336985 (1.939e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 6.282671766260681 (1.21451e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 6.282671766201563 (9.4097e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 6.282671766155282 (7.36648e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 6.282671766133062 (3.53678e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 6.282671766123546 (1.51449e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 6.282671766119805 (5.95449e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.401691, 0.590457, 0.741009, 0.822518, 0.84569, 1.08497, 1.13738, 1.16665 elapsed time for k point: 0.2576873302459717 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.323058524509214 (0.41541% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311730025496086 (0.179322% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308426930504579 (0.0523463% change) linmin: converged after 4 iterations. iteration 4: trace = 6.306501212718464 (0.0305308% change) linmin: converged after 4 iterations. iteration 5: trace = 6.304352136227359 (0.034083% change) linmin: converged after 4 iterations. iteration 6: trace = 6.302203468396591 (0.0340881% change) linmin: converged after 5 iterations. iteration 7: trace = 6.299495340676073 (0.0429804% change) linmin: converged after 4 iterations. iteration 8: trace = 6.29813008263013 (0.0216748% change) linmin: converged after 4 iterations. iteration 9: trace = 6.296931272765539 (0.0190362% change) linmin: converged after 4 iterations. iteration 10: trace = 6.295807443254834 (0.0178488% change) linmin: converged after 4 iterations. iteration 11: trace = 6.294899315455812 (0.0144254% change) linmin: converged after 3 iterations. iteration 12: trace = 6.294524809215353 (0.00594954% change) linmin: converged after 3 iterations. iteration 13: trace = 6.294437485924433 (0.0013873% change) linmin: converged after 4 iterations. iteration 14: trace = 6.294418376016278 (0.0003036% change) linmin: converged after 4 iterations. iteration 15: trace = 6.294411189092592 (0.000114179% change) linmin: converged after 4 iterations. iteration 16: trace = 6.294408935263537 (3.58068e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 6.294407437985887 (2.37874e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 6.294406459003849 (1.55532e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 6.294405986379219 (7.50865e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 6.294405825788374 (2.55133e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 6.294405782629282 (6.85674e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 6.294405766446978 (2.5709e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 6.294405751369196 (2.39543e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 6.294405733484957 (2.84129e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 6.294405719045222 (2.29406e-07% change) linmin: converged after 3 iterations. iteration 26: trace = 6.294405712361798 (1.0618e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 6.294405710179691 (3.46674e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 6.294405708996522 (1.87972e-08% change) linmin: converged after 6 iterations. iteration 29: trace = 6.29440570787762 (1.77761e-08% change) linmin: converged after 22 iterations. iteration 30: trace = 6.294405706286295 (2.52816e-08% change) linmin: converged after 8 iterations. iteration 31: trace = 6.294405704817234 (2.33392e-08% change) linmin: converged after 21 iterations. iteration 32: trace = 6.294405704102966 (1.13477e-08% change) linmin: converged after 11 iterations. iteration 33: trace = 6.294405703768747 (5.30979e-09% change) linmin: converged after 10 iterations. iteration 34: trace = 6.294405703545735 (3.54302e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 6.294405703401985 (2.28377e-09% change) linmin: converged after 6 iterations. iteration 36: trace = 6.294405703320325 (1.29734e-09% change) linmin: converged after 6 iterations. iteration 37: trace = 6.294405703286799 (5.32633e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 6.29440570327348 (2.11603e-10% change) linmin: converged after 2 iterations. iteration 39: trace = 6.294405703268606 (7.74249e-11% change) Finished solving for bands 1 to 8 after 39 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.478396, 0.520318, 0.738393, 0.816173, 0.844859, 1.08909, 1.14451, 1.17202 elapsed time for k point: 0.3230092525482178 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.304124176918179 (0.136202% change) linmin: converged after 4 iterations. iteration 2: trace = 6.299143727759921 (0.0790343% change) linmin: converged after 4 iterations. iteration 3: trace = 6.29761911485889 (0.0242064% change) linmin: converged after 4 iterations. iteration 4: trace = 6.296869484147121 (0.0119041% change) linmin: converged after 4 iterations. iteration 5: trace = 6.296579810595481 (0.00460038% change) linmin: converged after 5 iterations. iteration 6: trace = 6.296498469687423 (0.00129184% change) linmin: converged after 4 iterations. iteration 7: trace = 6.296474114150643 (0.000386812% change) linmin: converged after 3 iterations. iteration 8: trace = 6.296468894841503 (8.28926e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 6.296468163009903 (1.16229e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.29646794117124 (3.52322e-06% change) linmin: converged after 13 iterations. iteration 11: trace = 6.296467865329782 (1.20451e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 6.29646783396988 (4.98055e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 6.296467809830038 (3.83387e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 6.296467783022488 (4.25755e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 6.296467750315616 (5.19448e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 6.296467727879392 (3.5633e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.296467716753019 (1.76708e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.296467707688741 (1.43958e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 6.296467699980612 (1.2242e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 6.29646769426152 (9.08302e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 6.296467691403794 (4.53862e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 6.296467690402602 (1.59009e-08% change) linmin: converged after 10 iterations. iteration 23: trace = 6.296467690046352 (5.65792e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 6.296467689824296 (3.52668e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 6.296467689597053 (3.60906e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 6.296467689392042 (3.25597e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 6.296467689305395 (1.37612e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 6.29646768927956 (4.10301e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 6.296467689270652 (1.41483e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 6.296467689265779 (7.73854e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.48205, 0.522761, 0.727295, 0.819868, 0.844497, 1.09131, 1.14544, 1.17197 elapsed time for k point: 0.2493910789489746 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.309755869234594 (0.140741% change) linmin: converged after 5 iterations. iteration 2: trace = 6.304446785319088 (0.0841763% change) linmin: converged after 4 iterations. iteration 3: trace = 6.302898425009913 (0.0245628% change) linmin: converged after 4 iterations. iteration 4: trace = 6.302200209028822 (0.0110783% change) linmin: converged after 4 iterations. iteration 5: trace = 6.301949962624368 (0.00397086% change) linmin: converged after 4 iterations. iteration 6: trace = 6.301878185411544 (0.00113897% change) linmin: converged after 4 iterations. iteration 7: trace = 6.301853710018817 (0.000388383% change) linmin: converged after 2 iterations. iteration 8: trace = 6.301848087262046 (8.92239e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 6.301846911960375 (1.86501e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 6.301846388216987 (8.31095e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 6.301846085008119 (4.81143e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 6.301845888867882 (3.11243e-06% change) linmin: converged after 11 iterations. iteration 13: trace = 6.301845757623054 (2.08264e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 6.301845698619575 (9.36289e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 6.301845668235494 (4.82146e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 6.301845649790858 (2.92686e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.301845629320354 (3.24833e-07% change) linmin: converged after 13 iterations. iteration 18: trace = 6.301845601848997 (4.35926e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 6.301845579579454 (3.53381e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.301845567110102 (1.97868e-07% change) linmin: converged after 14 iterations. iteration 21: trace = 6.301845561609762 (8.72814e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 6.301845559125028 (3.94287e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 6.30184555728997 (2.91194e-08% change) linmin: converged after 16 iterations. iteration 24: trace = 6.301845555247235 (3.24149e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.301845553038566 (3.5048e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 6.301845551683943 (2.14957e-08% change) linmin: converged after 15 iterations. iteration 27: trace = 6.301845551182731 (7.95342e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 6.301845550984629 (3.14355e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 6.301845550903846 (1.28189e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 6.301845550857779 (7.3101e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 6.30184555083353 (3.84793e-10% change) linmin: converged after 5 iterations. iteration 32: trace = 6.301845550825483 (1.27691e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 6.301845550822878 (4.13375e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.492796, 0.529981, 0.69937, 0.826669, 0.843482, 1.09673, 1.14811, 1.17183 elapsed time for k point: 0.2743396759033203 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.317078115623687 (0.146594% change) linmin: converged after 5 iterations. iteration 2: trace = 6.311483197756654 (0.0886074% change) linmin: converged after 4 iterations. iteration 3: trace = 6.310056572944534 (0.0226062% change) linmin: converged after 4 iterations. iteration 4: trace = 6.30947382767081 (0.00923561% change) linmin: converged after 4 iterations. iteration 5: trace = 6.309287208928669 (0.0029578% change) linmin: converged after 4 iterations. iteration 6: trace = 6.309229226567563 (0.000919004% change) linmin: converged after 3 iterations. iteration 7: trace = 6.309202973781722 (0.000416102% change) linmin: converged after 4 iterations. iteration 8: trace = 6.309194406600023 (0.000135789% change) linmin: converged after 3 iterations. iteration 9: trace = 6.309190349198454 (6.43094e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.309187375962718 (4.71255e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.309185567454924 (2.86647e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 6.309184755086918 (1.2876e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 6.309184446575253 (4.88988e-06% change) linmin: converged after 29 iterations. iteration 14: trace = 6.309184352025204 (1.49861e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.309184300579352 (8.15412e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 6.309184257672653 (6.80067e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 6.309184198715813 (9.34461e-07% change) linmin: converged after 8 iterations. iteration 18: trace = 6.309184133927366 (1.02689e-06% change) linmin: converged after 9 iterations. iteration 19: trace = 6.309184099681164 (5.42799e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.309184084106044 (2.46864e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 6.309184076911341 (1.14035e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 6.309184072438002 (7.0902e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 6.309184068130057 (6.82805e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 6.309184063212673 (7.79401e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.309184056450087 (1.07186e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.309184051362663 (8.06352e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 6.30918404865298 (4.29482e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 6.309184047348857 (2.06702e-08% change) linmin: converged after 24 iterations. iteration 29: trace = 6.309184046823378 (8.32878e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 6.309184046545847 (4.39884e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 6.309184046419699 (1.99943e-09% change) linmin: converged after 9 iterations. iteration 32: trace = 6.309184046373004 (7.40113e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 6.309184046358345 (2.3235e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 6.309184046353365 (7.89328e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.510012, 0.541662, 0.661523, 0.832379, 0.841947, 1.10264, 1.15222, 1.1717 elapsed time for k point: 0.28255295753479004 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.325727801935533 (0.146427% change) linmin: converged after 5 iterations. iteration 2: trace = 6.320285470987536 (0.0860719% change) linmin: converged after 4 iterations. iteration 3: trace = 6.319074550843555 (0.0191611% change) linmin: converged after 5 iterations. iteration 4: trace = 6.318622553851954 (0.00715315% change) linmin: converged after 4 iterations. iteration 5: trace = 6.318479349125761 (0.00226642% change) linmin: converged after 4 iterations. iteration 6: trace = 6.318420288428971 (0.000934734% change) linmin: converged after 5 iterations. iteration 7: trace = 6.318374042072648 (0.000731932% change) linmin: converged after 4 iterations. iteration 8: trace = 6.318349508618383 (0.000388288% change) linmin: converged after 6 iterations. iteration 9: trace = 6.318335411522264 (0.000223114% change) linmin: converged after 5 iterations. iteration 10: trace = 6.318328246606736 (0.000113399% change) linmin: converged after 5 iterations. iteration 11: trace = 6.318325584766884 (4.21289e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 6.318324523260438 (1.68004e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 6.31832411877056 (6.40185e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.318323928379774 (3.01331e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.318323717792311 (3.33296e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 6.318323450131568 (4.23626e-06% change) linmin: converged after 7 iterations. iteration 17: trace = 6.318323137017652 (4.95565e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 6.318322959162402 (2.81491e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 6.318322903495025 (8.81047e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 6.318322888313268 (2.40281e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 6.318322883797113 (7.14771e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.31832288218135 (2.55727e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 6.31832288139459 (1.2452e-08% change) linmin: converged after 5 iterations. iteration 24: trace = 6.318322880964127 (6.81294e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 6.318322880604987 (5.68409e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 6.318322880209575 (6.25819e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 6.318322879598516 (9.67122e-09% change) linmin: converged after 23 iterations. iteration 28: trace = 6.318322878497072 (1.74325e-08% change) linmin: converged after 17 iterations. iteration 29: trace = 6.318322877602435 (1.41594e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 6.318322877083816 (8.20817e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 6.31832287680707 (4.38006e-09% change) linmin: converged after 7 iterations. iteration 32: trace = 6.318322876668261 (2.19693e-09% change) linmin: converged after 7 iterations. iteration 33: trace = 6.318322876613935 (8.59808e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 6.318322876598192 (2.49164e-10% change) linmin: converged after 9 iterations. iteration 35: trace = 6.318322876593964 (6.69263e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.532564, 0.557306, 0.617759, 0.836201, 0.840118, 1.10684, 1.15685, 1.1722 elapsed time for k point: 0.29055070877075195 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.337373568353473 (0.139364% change) linmin: converged after 4 iterations. iteration 2: trace = 6.332424094181654 (0.0781303% change) linmin: converged after 4 iterations. iteration 3: trace = 6.33135430982253 (0.0168952% change) linmin: converged after 4 iterations. iteration 4: trace = 6.33094059127422 (0.00653465% change) linmin: converged after 4 iterations. iteration 5: trace = 6.330763210196297 (0.00280185% change) linmin: converged after 4 iterations. iteration 6: trace = 6.330643969801647 (0.00188353% change) linmin: converged after 5 iterations. iteration 7: trace = 6.330526348136589 (0.00185799% change) linmin: converged after 4 iterations. iteration 8: trace = 6.330475545195529 (0.000802511% change) linmin: converged after 4 iterations. iteration 9: trace = 6.330456130102572 (0.000306693% change) linmin: converged after 4 iterations. iteration 10: trace = 6.330448155863332 (0.000125966% change) linmin: converged after 3 iterations. iteration 11: trace = 6.330444917501014 (5.11554e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.330441968357565 (4.65867e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.330438826384161 (4.96328e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 6.330433859955861 (7.84532e-05% change) large trace change predicted (0.000173114%) linmin: converged after 5 iterations. iteration 15: trace = 6.330422902013831 (0.0001731% change) linmin: converged after 13 iterations. iteration 16: trace = 6.330408494649457 (0.00022759% change) linmin: converged after 6 iterations. iteration 17: trace = 6.330393091576616 (0.000243319% change) linmin: converged after 8 iterations. iteration 18: trace = 6.330384367755966 (0.000137809% change) linmin: converged after 6 iterations. iteration 19: trace = 6.330379302017227 (8.00226e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 6.330373672644823 (8.89263e-05% change) large trace change predicted (0.000227718%) linmin: converged after 5 iterations. iteration 21: trace = 6.33035925723309 (0.000227718% change) large trace change predicted (0.000970824%) linmin: converged after 4 iterations. iteration 22: trace = 6.330298260629617 (0.000963561% change) large trace change predicted (0.00347969%) linmin: converged after 6 iterations. iteration 23: trace = 6.330100731553175 (0.00312042% change) linmin: converged after 4 iterations. iteration 24: trace = 6.3298245619447 (0.00436289% change) linmin: converged after 16 iterations. iteration 25: trace = 6.329581573732582 (0.00383886% change) linmin: converged after 4 iterations. iteration 26: trace = 6.329442198959184 (0.00220198% change) linmin: converged after 5 iterations. iteration 27: trace = 6.329368645345856 (0.00116209% change) linmin: converged after 4 iterations. iteration 28: trace = 6.329332395760338 (0.000572722% change) linmin: converged after 3 iterations. iteration 29: trace = 6.329321991070218 (0.000164389% change) linmin: converged after 3 iterations. iteration 30: trace = 6.329319097887414 (4.57108e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 6.329318300112753 (1.26044e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.32931799401534 (4.83618e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 6.329317823046903 (2.70121e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 6.329317711768423 (1.75814e-06% change) linmin: converged after 2 iterations. iteration 35: trace = 6.329317634326106 (1.22355e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 6.329317560628957 (1.16438e-06% change) linmin: converged after 3 iterations. iteration 37: trace = 6.329317474101318 (1.36709e-06% change) linmin: converged after 3 iterations. iteration 38: trace = 6.329317376152686 (1.54754e-06% change) linmin: converged after 3 iterations. iteration 39: trace = 6.329317304135788 (1.13783e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 6.329317262570813 (6.56706e-07% change) linmin: converged after 7 iterations. iteration 41: trace = 6.329317230490024 (5.0686e-07% change) linmin: converged after 3 iterations. iteration 42: trace = 6.329317195204275 (5.57497e-07% change) linmin: converged after 19 iterations. iteration 43: trace = 6.329317162865667 (5.10934e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 6.329317144724583 (2.8662e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 6.329317134274186 (1.65111e-07% change) linmin: converged after 3 iterations. iteration 46: trace = 6.329317125665602 (1.36011e-07% change) linmin: converged after 3 iterations. iteration 47: trace = 6.329317115465499 (1.61156e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 6.329317101125388 (2.26566e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 6.329317075163051 (4.10192e-07% change) large trace change predicted (8.61015e-07%) linmin: converged after 3 iterations. iteration 50: trace = 6.329317020665198 (8.61038e-07% change) large trace change predicted (2.13472e-06%) linmin: converged after 4 iterations. iteration 51: trace = 6.329316885542928 (2.13486e-06% change) large trace change predicted (4.29515e-06%) linmin: converged after 5 iterations. iteration 52: trace = 6.329316613643599 (4.29587e-06% change) linmin: converged after 6 iterations. iteration 53: trace = 6.32931633292384 (4.43523e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 6.329316191091348 (2.24088e-06% change) linmin: converged after 14 iterations. iteration 55: trace = 6.329316143731128 (7.48268e-07% change) linmin: converged after 13 iterations. iteration 56: trace = 6.329316126924949 (2.65529e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 6.329316120016061 (1.09157e-07% change) linmin: converged after 2 iterations. iteration 58: trace = 6.329316116852911 (4.99762e-08% change) linmin: converged after 3 iterations. iteration 59: trace = 6.329316115406021 (2.28601e-08% change) linmin: converged after 3 iterations. iteration 60: trace = 6.329316114742666 (1.04807e-08% change) linmin: converged after 17 iterations. iteration 61: trace = 6.329316114247174 (7.82852e-09% change) linmin: converged after 10 iterations. iteration 62: trace = 6.329316113570425 (1.06923e-08% change) linmin: converged after 2 iterations. iteration 63: trace = 6.329316112499557 (1.69192e-08% change) linmin: converged after 29 iterations. iteration 64: trace = 6.329316111378374 (1.77141e-08% change) linmin: converged after 14 iterations. iteration 65: trace = 6.329316110808651 (9.00135e-09% change) linmin: converged after 4 iterations. iteration 66: trace = 6.329316110612147 (3.10465e-09% change) linmin: converged after 10 iterations. iteration 67: trace = 6.329316110525627 (1.36697e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 6.329316110484569 (6.48693e-10% change) linmin: converged after 3 iterations. iteration 69: trace = 6.329316110466248 (2.89468e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.329316110458748 (1.18493e-10% change) linmin: converged after 3 iterations. iteration 71: trace = 6.329316110451641 (1.1229e-10% change) linmin: converged after 3 iterations. iteration 72: trace = 6.329316110445949 (8.9936e-11% change) Finished solving for bands 1 to 8 after 72 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.553509, 0.57602, 0.576336, 0.838242, 0.838556, 1.10835, 1.15937, 1.17498 elapsed time for k point: 0.5912439823150635 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.392697536400067 (0.520011% change) linmin: converged after 5 iterations. iteration 2: trace = 6.375242988329877 (0.273412% change) linmin: converged after 4 iterations. iteration 3: trace = 6.370715448645456 (0.0710427% change) linmin: converged after 4 iterations. iteration 4: trace = 6.368209752742906 (0.0393392% change) linmin: converged after 4 iterations. iteration 5: trace = 6.366423965264879 (0.0280462% change) linmin: converged after 4 iterations. iteration 6: trace = 6.365418549509598 (0.0157937% change) linmin: converged after 4 iterations. iteration 7: trace = 6.364762760668673 (0.0103029% change) linmin: converged after 4 iterations. iteration 8: trace = 6.364505250007404 (0.00404596% change) linmin: converged after 4 iterations. iteration 9: trace = 6.364314498667541 (0.00299716% change) linmin: converged after 4 iterations. iteration 10: trace = 6.364187772146698 (0.00199122% change) linmin: converged after 3 iterations. iteration 11: trace = 6.364105952376677 (0.00128564% change) large trace change predicted (0.00305009%) linmin: converged after 4 iterations. iteration 12: trace = 6.363911984829839 (0.00304788% change) near maximum in trace linmin: converged after 8 iterations. iteration 13: trace = 6.361499503387742 (0.037916% change) linmin: converged after 7 iterations. iteration 14: trace = 6.360271352641515 (0.0193079% change) linmin: converged after 6 iterations. iteration 15: trace = 6.359373320746373 (0.0141204% change) linmin: converged after 4 iterations. iteration 16: trace = 6.358557327784157 (0.0128322% change) linmin: converged after 5 iterations. iteration 17: trace = 6.357758963122882 (0.0125565% change) linmin: converged after 4 iterations. iteration 18: trace = 6.356950348436735 (0.0127194% change) linmin: converged after 4 iterations. iteration 19: trace = 6.356112158770558 (0.0131863% change) linmin: converged after 4 iterations. iteration 20: trace = 6.3552210220007 (0.0140211% change) linmin: converged after 5 iterations. iteration 21: trace = 6.354246271752751 (0.015339% change) linmin: converged after 5 iterations. iteration 22: trace = 6.353159846248303 (0.0170991% change) linmin: converged after 5 iterations. iteration 23: trace = 6.35196088673317 (0.0188736% change) linmin: converged after 5 iterations. iteration 24: trace = 6.350699423806409 (0.0198614% change) linmin: converged after 6 iterations. iteration 25: trace = 6.349458062237173 (0.0195488% change) linmin: converged after 11 iterations. iteration 26: trace = 6.34829159037714 (0.0183729% change) linmin: converged after 5 iterations. iteration 27: trace = 6.347197877026398 (0.01723% change) linmin: converged after 4 iterations. iteration 28: trace = 6.346140646771216 (0.016658% change) linmin: converged after 4 iterations. iteration 29: trace = 6.345081424197421 (0.0166922% change) linmin: converged after 6 iterations. iteration 30: trace = 6.343999266158532 (0.0170565% change) linmin: converged after 8 iterations. iteration 31: trace = 6.34289797744569 (0.017361% change) linmin: converged after 5 iterations. iteration 32: trace = 6.341800670694079 (0.0173013% change) linmin: converged after 6 iterations. iteration 33: trace = 6.340734177744954 (0.0168183% change) linmin: converged after 6 iterations. iteration 34: trace = 6.339713656999617 (0.016096% change) linmin: converged after 6 iterations. iteration 35: trace = 6.338736958302039 (0.0154072% change) linmin: converged after 8 iterations. iteration 36: trace = 6.337788349445438 (0.0149664% change) linmin: converged after 6 iterations. iteration 37: trace = 6.336845705182342 (0.0148745% change) linmin: converged after 5 iterations. iteration 38: trace = 6.335887527488667 (0.0151219% change) linmin: converged after 9 iterations. iteration 39: trace = 6.334899763556254 (0.0155912% change) linmin: converged after 5 iterations. iteration 40: trace = 6.333883356334498 (0.0160459% change) linmin: converged after 5 iterations. iteration 41: trace = 6.332860742526943 (0.0161464% change) linmin: converged after 5 iterations. iteration 42: trace = 6.331873835741273 (0.0155851% change) linmin: converged after 5 iterations. iteration 43: trace = 6.330966840466996 (0.0143253% change) linmin: converged after 6 iterations. iteration 44: trace = 6.330164320025411 (0.0126769% change) linmin: converged after 4 iterations. iteration 45: trace = 6.329464391260638 (0.0110577% change) linmin: converged after 4 iterations. iteration 46: trace = 6.32884785525723 (0.0097412% change) linmin: converged after 4 iterations. iteration 47: trace = 6.32828985157926 (0.00881722% change) linmin: converged after 4 iterations. iteration 48: trace = 6.327766889039152 (0.00826423% change) linmin: converged after 4 iterations. iteration 49: trace = 6.327259832228225 (0.00801352% change) linmin: converged after 4 iterations. iteration 50: trace = 6.326755070031664 (0.0079779% change) linmin: converged after 4 iterations. iteration 51: trace = 6.326245081812797 (0.00806114% change) linmin: converged after 5 iterations. iteration 52: trace = 6.325728425049502 (0.00816721% change) linmin: converged after 7 iterations. iteration 53: trace = 6.32520855104691 (0.00821874% change) linmin: converged after 4 iterations. iteration 54: trace = 6.324691211955681 (0.00817934% change) linmin: converged after 4 iterations. iteration 55: trace = 6.324181335839038 (0.008062% change) linmin: converged after 5 iterations. iteration 56: trace = 6.323680868807193 (0.00791386% change) linmin: converged after 4 iterations. iteration 57: trace = 6.32318835654459 (0.00778868% change) linmin: converged after 4 iterations. iteration 58: trace = 6.322699819678329 (0.00772641% change) linmin: converged after 4 iterations. iteration 59: trace = 6.322209969546876 (0.00774778% change) linmin: converged after 4 iterations. iteration 60: trace = 6.321713056148067 (0.00786011% change) linmin: converged after 4 iterations. iteration 61: trace = 6.321203087303003 (0.00806727% change) linmin: converged after 4 iterations. iteration 62: trace = 6.32067351011951 (0.00837814% change) linmin: converged after 5 iterations. iteration 63: trace = 6.320116672146428 (0.00881018% change) linmin: converged after 4 iterations. iteration 64: trace = 6.319523506983118 (0.00938579% change) linmin: converged after 6 iterations. iteration 65: trace = 6.31888396354395 (0.0101206% change) linmin: converged after 7 iterations. iteration 66: trace = 6.318188742530171 (0.0110029% change) linmin: converged after 5 iterations. iteration 67: trace = 6.317432732103469 (0.0119663% change) linmin: converged after 6 iterations. iteration 68: trace = 6.316619643003495 (0.0128714% change) linmin: converged after 5 iterations. iteration 69: trace = 6.31576551035283 (0.0135229% change) resetting CG direction... large trace change predicted (0.188896%) linmin: converged after 4 iterations. iteration 70: trace = 6.303775187118603 (0.190028% change) linmin: converged after 4 iterations. iteration 71: trace = 6.300360065548968 (0.0541905% change) linmin: converged after 4 iterations. iteration 72: trace = 6.299320260860221 (0.0165053% change) linmin: converged after 4 iterations. iteration 73: trace = 6.299061184009037 (0.00411286% change) linmin: converged after 4 iterations. iteration 74: trace = 6.298946772400057 (0.00181634% change) linmin: converged after 3 iterations. iteration 75: trace = 6.298877892486524 (0.00109352% change) linmin: converged after 3 iterations. iteration 76: trace = 6.298793453243427 (0.00134055% change) linmin: converged after 5 iterations. iteration 77: trace = 6.298725859894616 (0.00107312% change) linmin: converged after 3 iterations. iteration 78: trace = 6.298682945329941 (0.000681324% change) linmin: converged after 3 iterations. iteration 79: trace = 6.29864221623796 (0.000646631% change) linmin: converged after 3 iterations. iteration 80: trace = 6.298616555810849 (0.000407397% change) linmin: converged after 4 iterations. iteration 81: trace = 6.298604027430939 (0.000198907% change) linmin: converged after 3 iterations. iteration 82: trace = 6.298598786874894 (8.32019e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 6.298597355879141 (2.27193e-05% change) linmin: converged after 2 iterations. iteration 84: trace = 6.298596365577042 (1.57226e-05% change) linmin: converged after 4 iterations. iteration 85: trace = 6.298595760185355 (9.61153e-06% change) linmin: converged after 3 iterations. iteration 86: trace = 6.298595315606732 (7.05838e-06% change) linmin: converged after 2 iterations. iteration 87: trace = 6.298595099403137 (3.43257e-06% change) linmin: converged after 2 iterations. iteration 88: trace = 6.298595020049634 (1.25986e-06% change) linmin: converged after 4 iterations. iteration 89: trace = 6.298594974719621 (7.19685e-07% change) linmin: converged after 2 iterations. iteration 90: trace = 6.298594929356378 (7.20212e-07% change) linmin: converged after 9 iterations. iteration 91: trace = 6.298594895493927 (5.37619e-07% change) linmin: converged after 3 iterations. iteration 92: trace = 6.298594877348879 (2.88081e-07% change) linmin: converged after 4 iterations. iteration 93: trace = 6.298594868821838 (1.3538e-07% change) linmin: converged after 4 iterations. iteration 94: trace = 6.298594864524688 (6.82239e-08% change) linmin: converged after 18 iterations. iteration 95: trace = 6.298594862453173 (3.28885e-08% change) linmin: converged after 10 iterations. iteration 96: trace = 6.298594861905929 (8.68835e-09% change) linmin: converged after 18 iterations. iteration 97: trace = 6.298594861732267 (2.75715e-09% change) linmin: converged after 3 iterations. iteration 98: trace = 6.298594861685727 (7.38904e-10% change) linmin: converged after 6 iterations. iteration 99: trace = 6.298594861667175 (2.94546e-10% change) linmin: converged after 4 iterations. iteration 100: trace = 6.298594861657987 (1.45863e-10% change) linmin: converged after 3 iterations. iteration 101: trace = 6.298594861654078 (6.20594e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.461593, 0.620594, 0.628556, 0.836746, 0.840202, 1.10228, 1.15102, 1.16591 elapsed time for k point: 0.8268592357635498 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.306563987196291 (0.575322% change) linmin: converged after 5 iterations. iteration 2: trace = 6.289554233366957 (0.270079% change) linmin: converged after 3 iterations. iteration 3: trace = 6.285540394330384 (0.0638379% change) linmin: converged after 4 iterations. iteration 4: trace = 6.283792833053827 (0.0278067% change) linmin: converged after 4 iterations. iteration 5: trace = 6.282960247917127 (0.0132506% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282722744171119 (0.0037802% change) linmin: converged after 4 iterations. iteration 7: trace = 6.282637992352333 (0.00134898% change) linmin: converged after 3 iterations. iteration 8: trace = 6.282617671090692 (0.000323452% change) linmin: converged after 3 iterations. iteration 9: trace = 6.282612484408784 (8.25561e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.282610016564601 (3.92805e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.282609109449777 (1.44385e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 6.282608783832925 (5.18283e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 6.282608658505997 (1.99482e-06% change) linmin: converged after 20 iterations. iteration 14: trace = 6.282608607802826 (8.0704e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 6.28260857957649 (4.49277e-07% change) linmin: converged after 13 iterations. iteration 16: trace = 6.282608566246189 (2.12178e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.2826085584814 (1.23592e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.282608555131908 (5.33137e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 6.282608553958243 (1.86812e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 6.282608553518158 (7.0048e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 6.282608553300054 (3.47155e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 6.282608553188997 (1.7677e-09% change) linmin: converged after 12 iterations. iteration 23: trace = 6.282608553137477 (8.20036e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 6.282608553118513 (3.01855e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 6.282608553113037 (8.71552e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.350141, 0.666671, 0.698454, 0.841979, 0.843343, 1.08599, 1.12874, 1.16367 elapsed time for k point: 0.20913147926330566 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.317975067848123 (0.565733% change) linmin: converged after 4 iterations. iteration 2: trace = 6.302973191720834 (0.23773% change) linmin: converged after 4 iterations. iteration 3: trace = 6.299244438394599 (0.0591761% change) linmin: converged after 3 iterations. iteration 4: trace = 6.297766221419174 (0.0234693% change) linmin: converged after 4 iterations. iteration 5: trace = 6.297098741183603 (0.0105992% change) linmin: converged after 3 iterations. iteration 6: trace = 6.296927857601009 (0.00271372% change) linmin: converged after 4 iterations. iteration 7: trace = 6.296859980232969 (0.00107795% change) linmin: converged after 4 iterations. iteration 8: trace = 6.296840480940123 (0.000309667% change) linmin: converged after 3 iterations. iteration 9: trace = 6.29683511856534 (8.51598e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.296832556246105 (4.06922e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 6.296831447029661 (1.76155e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.296831011555438 (6.91577e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 6.296830859588107 (2.41339e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 6.29683081631861 (6.87163e-07% change) linmin: converged after 7 iterations. iteration 15: trace = 6.296830799715153 (2.6368e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 6.296830794163727 (8.81622e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 6.296830791811523 (3.73554e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 6.296830790795295 (1.61387e-08% change) linmin: converged after 18 iterations. iteration 19: trace = 6.296830790487543 (4.88741e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 6.296830790381238 (1.68823e-09% change) linmin: converged after 7 iterations. iteration 21: trace = 6.29683079033256 (7.73048e-10% change) linmin: converged after 8 iterations. iteration 22: trace = 6.29683079030516 (4.35144e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 6.296830790293807 (1.80292e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 6.296830790289762 (6.4249e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.234979, 0.703081, 0.756416, 0.858378, 0.861716, 1.0625, 1.09087, 1.1734 elapsed time for k point: 0.20096206665039062 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.373209112053164 (0.562684% change) linmin: converged after 7 iterations. iteration 2: trace = 6.360316161578886 (0.202504% change) linmin: converged after 4 iterations. iteration 3: trace = 6.357504912854528 (0.0442096% change) linmin: converged after 3 iterations. iteration 4: trace = 6.356585097685716 (0.0144692% change) linmin: converged after 3 iterations. iteration 5: trace = 6.35623283030605 (0.00554192% change) linmin: converged after 3 iterations. iteration 6: trace = 6.356142086160634 (0.00142765% change) linmin: converged after 3 iterations. iteration 7: trace = 6.356092254703364 (0.000783992% change) linmin: converged after 3 iterations. iteration 8: trace = 6.356067894802456 (0.000383254% change) linmin: converged after 3 iterations. iteration 9: trace = 6.356057959422971 (0.000156313% change) linmin: converged after 3 iterations. iteration 10: trace = 6.35605344244572 (7.10657e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.356051425803913 (3.17279e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.356050456386637 (1.52519e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 6.356050073440095 (6.02491e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.356049967376734 (1.6687e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.356049919529141 (7.52788e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 6.35604990138871 (2.85404e-07% change) linmin: converged after 24 iterations. iteration 17: trace = 6.356049892735019 (1.36149e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.356049887839801 (7.70167e-08% change) linmin: converged after 11 iterations. iteration 19: trace = 6.356049885346997 (3.92194e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 6.356049883857855 (2.34287e-08% change) linmin: converged after 23 iterations. iteration 21: trace = 6.356049883361585 (7.80783e-09% change) linmin: converged after 19 iterations. iteration 22: trace = 6.356049883209114 (2.39883e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 6.356049883160939 (7.5795e-10% change) linmin: converged after 16 iterations. iteration 24: trace = 6.356049883141619 (3.03957e-10% change) linmin: converged after 9 iterations. iteration 25: trace = 6.356049883134009 (1.19727e-10% change) linmin: converged after 10 iterations. iteration 26: trace = 6.356049883130337 (5.77675e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117907, 0.722467, 0.782825, 0.895483, 0.896999, 1.03533, 1.04486, 1.19885 elapsed time for k point: 0.2180948257446289 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.48440676877224 (0.576704% change) linmin: converged after 5 iterations. iteration 2: trace = 6.471730173737943 (0.195685% change) linmin: converged after 3 iterations. iteration 3: trace = 6.469268167065262 (0.0380497% change) linmin: converged after 4 iterations. iteration 4: trace = 6.468362479664189 (0.0140008% change) linmin: converged after 4 iterations. iteration 5: trace = 6.468081016953374 (0.00435147% change) linmin: converged after 4 iterations. iteration 6: trace = 6.468019507054416 (0.000950981% change) linmin: converged after 4 iterations. iteration 7: trace = 6.467983140883151 (0.000562247% change) linmin: converged after 5 iterations. iteration 8: trace = 6.467960050007376 (0.000357003% change) linmin: converged after 4 iterations. iteration 9: trace = 6.467927172636595 (0.000508313% change) linmin: converged after 6 iterations. iteration 10: trace = 6.46789827058066 (0.000446853% change) linmin: converged after 5 iterations. iteration 11: trace = 6.467871940836274 (0.000407084% change) linmin: converged after 5 iterations. iteration 12: trace = 6.467850751198549 (0.000327614% change) linmin: converged after 6 iterations. iteration 13: trace = 6.467835734516891 (0.000232174% change) linmin: converged after 5 iterations. iteration 14: trace = 6.467812737195191 (0.000355565% change) large trace change predicted (0.000926251%) linmin: converged after 3 iterations. iteration 15: trace = 6.467752878038979 (0.000925497% change) large trace change predicted (0.00336724%) linmin: converged after 6 iterations. iteration 16: trace = 6.467537992289682 (0.00332247% change) large trace change predicted (0.0076428%) linmin: converged after 7 iterations. iteration 17: trace = 6.467054240855499 (0.00747996% change) linmin: converged after 5 iterations. iteration 18: trace = 6.466680782267703 (0.00577495% change) linmin: converged after 4 iterations. iteration 19: trace = 6.466506550440516 (0.00269434% change) linmin: converged after 4 iterations. iteration 20: trace = 6.466437876282189 (0.001062% change) linmin: converged after 5 iterations. iteration 21: trace = 6.466417072559182 (0.000321719% change) linmin: converged after 3 iterations. iteration 22: trace = 6.46641091862616 (9.51676e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 6.466409279496541 (2.53484e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 6.466408508486072 (1.19233e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 6.466407804621152 (1.08849e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 6.466407055854193 (1.15793e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.466406660048764 (6.12095e-06% change) linmin: converged after 6 iterations. iteration 28: trace = 6.466406474881759 (2.86352e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 6.466406394954772 (1.23603e-06% change) linmin: converged after 7 iterations. iteration 30: trace = 6.466406364399802 (4.72519e-07% change) linmin: converged after 25 iterations. iteration 31: trace = 6.466406353483106 (1.68822e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 6.466406348126934 (8.28307e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 6.466406341478852 (1.0281e-07% change) large trace change predicted (2.07293e-07%) linmin: converged after 2 iterations. iteration 34: trace = 6.466406328074422 (2.07293e-07% change) large trace change predicted (4.92853e-07%) linmin: converged after 4 iterations. iteration 35: trace = 6.466406296204702 (4.92851e-07% change) large trace change predicted (1.36397e-06%) linmin: converged after 6 iterations. iteration 36: trace = 6.466406208003607 (1.36399e-06% change) large trace change predicted (3.01512e-06%) linmin: converged after 6 iterations. iteration 37: trace = 6.466406013025686 (3.01524e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 6.466405815026746 (3.06196e-06% change) linmin: converged after 21 iterations. iteration 39: trace = 6.466405733872693 (1.25501e-06% change) linmin: converged after 21 iterations. iteration 40: trace = 6.466405707777909 (4.03544e-07% change) linmin: converged after 4 iterations. iteration 41: trace = 6.466405697329449 (1.61581e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 6.466405689146795 (1.26541e-07% change) linmin: converged after 3 iterations. iteration 43: trace = 6.4664056798673 (1.43503e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 6.466405673448219 (9.92681e-08% change) linmin: converged after 4 iterations. iteration 45: trace = 6.466405669427594 (6.21771e-08% change) linmin: converged after 4 iterations. iteration 46: trace = 6.466405667382328 (3.16291e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 6.466405666184221 (1.85282e-08% change) linmin: converged after 3 iterations. iteration 48: trace = 6.466405665512511 (1.03877e-08% change) linmin: converged after 4 iterations. iteration 49: trace = 6.466405664658687 (1.3204e-08% change) large trace change predicted (3.62414e-08%) linmin: converged after 19 iterations. iteration 50: trace = 6.466405662315163 (3.62415e-08% change) large trace change predicted (1.23496e-07%) linmin: converged after 4 iterations. iteration 51: trace = 6.466405654329405 (1.23496e-07% change) large trace change predicted (2.49075e-07%) linmin: converged after 10 iterations. iteration 52: trace = 6.466405638223043 (2.49078e-07% change) linmin: converged after 23 iterations. iteration 53: trace = 6.466405616907966 (3.29628e-07% change) linmin: converged after 6 iterations. iteration 54: trace = 6.466405589350484 (4.26164e-07% change) linmin: converged after 6 iterations. iteration 55: trace = 6.466405565245783 (3.72768e-07% change) linmin: converged after 7 iterations. iteration 56: trace = 6.466405553444769 (1.82497e-07% change) linmin: converged after 4 iterations. iteration 57: trace = 6.466405548895239 (7.03564e-08% change) linmin: converged after 20 iterations. iteration 58: trace = 6.466405546944042 (3.01744e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 6.466405546068027 (1.35472e-08% change) linmin: converged after 3 iterations. iteration 60: trace = 6.46640554576652 (4.66267e-09% change) linmin: converged after 6 iterations. iteration 61: trace = 6.466405545618892 (2.28299e-09% change) linmin: converged after 4 iterations. iteration 62: trace = 6.466405545535504 (1.28956e-09% change) linmin: converged after 2 iterations. iteration 63: trace = 6.46640554546568 (1.0798e-09% change) linmin: converged after 4 iterations. iteration 64: trace = 6.466405545408747 (8.80445e-10% change) linmin: converged after 5 iterations. iteration 65: trace = 6.46640554537432 (5.32393e-10% change) linmin: converged after 3 iterations. iteration 66: trace = 6.466405545356942 (2.68744e-10% change) linmin: converged after 4 iterations. iteration 67: trace = 6.466405545350942 (9.27818e-11% change) Finished solving for bands 2 to 8 after 67 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 .elapsed time for k point: 0.46361398696899414 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972586 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.5203183590840945 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454921 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5763358596513124 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618368 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.8161730293674941 at Vector3<0.0, 0.5, 0.0> to 0.9209611432140956 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.8385562359606981 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.9220849425898023 at Vector3<0.0, 0.0, 0.0> Band 6 range: 1.016865668391551 at Vector3<0.0, 0.0, 0.0> to 1.1083536673418455 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 1.0184507253059414 at Vector3<0.0, 0.0, 0.0> to 1.159370227370719 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 1.163671905036438 at Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> to 1.24334118398719 at Vector3<0.0, 0.0, 0.0> Gap from band 3 (0.7880878930618368) to band 4 (0.8161730293674941), 3.5013177610943793% Gap from band 5 (0.9220849425898023) to band 6 (1.016865668391551), 9.776497169649678% Gap from band 7 (1.159370227370719) to band 8 (1.163671905036438), 0.3703486566781763% total elapsed time for run: 5.6687421798706055 done /tmp/meepW1wGQn/test_honey_rods-0: 8.59s /tmp/meepW1wGQn/test_line_defect-0 ======================== Initializing eigensolver data Computing 12 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 224 x 1. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (6.06218, -3.5, 0) (0, 0, 1) Cell volume = 6.06218 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.0824786, -0.142857, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,3,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-3,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 9 object nodes (vs. 8 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 6 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.10000000000000005, 0.3500000000000001, 0.0> Vector3<0.2000000000000001, 0.7000000000000002, 0.0> Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Vector3<0.5000000000000002, 1.7500000000000004, 0.0> elapsed time for initialization: 0.03949570655822754 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12 Solving for bands 2 to 7... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 1.196766755531369 (199.611% change) linmin: converged after 9 iterations. iteration 2: trace = 0.3074317174581375 (118.247% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2844524853024884 (7.76477% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2812371807197138 (1.13677% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2805321379624339 (0.251008% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2804620372438202 (0.0249916% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2804497808436864 (0.00437017% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2804487080528686 (0.000382526% change) linmin: converged after 17 iterations. iteration 9: trace = 0.2804485287729168 (6.39261e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2804485117540749 (6.06844e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2804485091314693 (9.35147e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2804485089210541 (7.50281e-08% change) linmin: converged after 14 iterations. iteration 13: trace = 0.2804485089016324 (6.92524e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 0.2804485088974201 (1.50197e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 0.2804485088970537 (1.30658e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2804485088969903 (2.26044e-11% change) Finished solving for bands 2 to 7 after 16 iterations. Solving for bands 8 to 12... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 5.347589494000355 (197.909% change) linmin: converged after 8 iterations. iteration 2: trace = 1.508143754927636 (112.007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.308852038496767 (14.1492% change) linmin: converged after 6 iterations. iteration 4: trace = 1.247987481329408 (4.76092% change) linmin: converged after 5 iterations. iteration 5: trace = 1.22616660969401 (1.76391% change) linmin: converged after 4 iterations. iteration 6: trace = 1.220205207652074 (0.487367% change) linmin: converged after 5 iterations. iteration 7: trace = 1.218622738880584 (0.129773% change) linmin: converged after 5 iterations. iteration 8: trace = 1.217964901842141 (0.0539966% change) linmin: converged after 4 iterations. iteration 9: trace = 1.21764047483332 (0.0266404% change) linmin: converged after 4 iterations. iteration 10: trace = 1.217144671073515 (0.0407267% change) large trace change predicted (0.10801%) linmin: converged after 9 iterations. iteration 11: trace = 1.215926777209407 (0.100112% change) linmin: converged after 5 iterations. iteration 12: trace = 1.214943060730187 (0.0809353% change) linmin: converged after 4 iterations. iteration 13: trace = 1.214347551256646 (0.0490274% change) linmin: converged after 4 iterations. iteration 14: trace = 1.213914363105354 (0.0356789% change) linmin: converged after 4 iterations. iteration 15: trace = 1.213500547679005 (0.0340952% change) linmin: converged after 4 iterations. iteration 16: trace = 1.212959722571419 (0.0445773% change) linmin: converged after 4 iterations. iteration 17: trace = 1.212519538873086 (0.0362966% change) linmin: converged after 4 iterations. iteration 18: trace = 1.212248726471528 (0.0223372% change) linmin: converged after 3 iterations. iteration 19: trace = 1.212140684714213 (0.0089129% change) linmin: converged after 3 iterations. iteration 20: trace = 1.21209965007864 (0.00338536% change) linmin: converged after 3 iterations. iteration 21: trace = 1.212045003909318 (0.00450849% change) linmin: converged after 4 iterations. iteration 22: trace = 1.211966020299981 (0.00651677% change) linmin: converged after 3 iterations. iteration 23: trace = 1.21190737890197 (0.00483865% change) linmin: converged after 3 iterations. iteration 24: trace = 1.211861221796229 (0.00380871% change) linmin: converged after 3 iterations. iteration 25: trace = 1.211829202001418 (0.00264223% change) linmin: converged after 4 iterations. iteration 26: trace = 1.211809541081491 (0.00162243% change) linmin: converged after 3 iterations. iteration 27: trace = 1.211778805367555 (0.00253638% change) linmin: converged after 3 iterations. iteration 28: trace = 1.211738643149325 (0.00331437% change) linmin: converged after 3 iterations. iteration 29: trace = 1.211698946607323 (0.00327605% change) linmin: converged after 4 iterations. iteration 30: trace = 1.21167529183805 (0.00195222% change) linmin: converged after 4 iterations. iteration 31: trace = 1.211662280946309 (0.0010738% change) linmin: converged after 3 iterations. iteration 32: trace = 1.211643382905959 (0.00155969% change) linmin: converged after 5 iterations. iteration 33: trace = 1.211626599923066 (0.00138515% change) linmin: converged after 3 iterations. iteration 34: trace = 1.211614078080451 (0.00103348% change) linmin: converged after 6 iterations. iteration 35: trace = 1.211602453568982 (0.000959428% change) linmin: converged after 3 iterations. iteration 36: trace = 1.211598303610076 (0.000342519% change) linmin: converged after 3 iterations. iteration 37: trace = 1.211596448975172 (0.000153074% change) linmin: converged after 3 iterations. iteration 38: trace = 1.211594613225303 (0.000151515% change) linmin: converged after 3 iterations. iteration 39: trace = 1.21159253440868 (0.000171577% change) linmin: converged after 4 iterations. iteration 40: trace = 1.211590947234846 (0.000130999% change) linmin: converged after 3 iterations. iteration 41: trace = 1.21159021563904 (6.03831e-05% change) linmin: converged after 4 iterations. iteration 42: trace = 1.211589891730046 (2.67342e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 1.211589741312096 (1.24149e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 1.211589683153443 (4.80019e-06% change) linmin: converged after 2 iterations. iteration 45: trace = 1.211589639031707 (3.64164e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 1.211589594611673 (3.66626e-06% change) linmin: converged after 2 iterations. iteration 47: trace = 1.211589568398748 (2.16352e-06% change) linmin: converged after 3 iterations. iteration 48: trace = 1.211589556366973 (9.93057e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 1.211589549124952 (5.97729e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.211589544167678 (4.09155e-07% change) linmin: converged after 2 iterations. iteration 51: trace = 1.211589539501938 (3.85093e-07% change) linmin: converged after 2 iterations. iteration 52: trace = 1.211589533344468 (5.08214e-07% change) linmin: converged after 2 iterations. iteration 53: trace = 1.211589524572466 (7.24008e-07% change) linmin: converged after 2 iterations. iteration 54: trace = 1.211589518683425 (4.86059e-07% change) linmin: converged after 2 iterations. iteration 55: trace = 1.211589515923064 (2.2783e-07% change) linmin: converged after 3 iterations. iteration 56: trace = 1.211589512935414 (2.46589e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 1.211589509905544 (2.50074e-07% change) linmin: converged after 7 iterations. iteration 58: trace = 1.211589507242211 (2.19821e-07% change) linmin: converged after 2 iterations. iteration 59: trace = 1.211589504813944 (2.0042e-07% change) linmin: converged after 2 iterations. iteration 60: trace = 1.211589503458415 (1.1188e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 1.211589502828587 (5.19836e-08% change) linmin: converged after 7 iterations. iteration 62: trace = 1.211589502438191 (3.22218e-08% change) linmin: converged after 10 iterations. iteration 63: trace = 1.211589502003768 (3.58556e-08% change) linmin: converged after 3 iterations. iteration 64: trace = 1.21158950137028 (5.22857e-08% change) linmin: converged after 4 iterations. iteration 65: trace = 1.211589501031985 (2.79216e-08% change) linmin: converged after 10 iterations. iteration 66: trace = 1.211589500878287 (1.26857e-08% change) linmin: converged after 2 iterations. iteration 67: trace = 1.211589500792746 (7.0602e-09% change) linmin: converged after 4 iterations. iteration 68: trace = 1.211589500767793 (2.05956e-09% change) linmin: converged after 3 iterations. iteration 69: trace = 1.211589500755955 (9.77034e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 1.21158950075149 (3.6855e-10% change) linmin: converged after 3 iterations. iteration 71: trace = 1.211589500746372 (4.22449e-10% change) linmin: converged after 3 iterations. iteration 72: trace = 1.211589500739953 (5.29752e-10% change) linmin: converged after 5 iterations. iteration 73: trace = 1.211589500735587 (3.6034e-10% change) linmin: converged after 3 iterations. iteration 74: trace = 1.211589500732074 (2.89947e-10% change) linmin: converged after 3 iterations. iteration 75: trace = 1.21158950073008 (1.64629e-10% change) linmin: converged after 3 iterations. iteration 76: trace = 1.211589500729295 (6.4785e-11% change) Finished solving for bands 8 to 12 after 76 iterations. Finished k-point with 39.6667 mean iterations/band. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.100888, 0.110544, 0.191438, 0.209077, 0.252769, 0.337337, 0.453613, 0.461172, 0.496485, 0.499488, 0.545123 elapsed time for k point: 4.3457536697387695 Fixing e-field (band 1) phase by 1 + -0i; max ampl. = 0 Fixing e-field (band 2) phase by 0.934778 + -0.355231i; max ampl. = 0.36443 Fixing e-field (band 3) phase by 0.41377 + -0.910381i; max ampl. = 0.363694 Fixing e-field (band 4) phase by -0.042412 + 0.9991i; max ampl. = 0.40619 Fixing e-field (band 5) phase by -0.829535 + -0.558455i; max ampl. = 0.458526 Fixing e-field (band 6) phase by -0.636619 + -0.771179i; max ampl. = 0.461015 Fixing e-field (band 7) phase by -0.696974 + 0.717096i; max ampl. = 0.87849 Fixing e-field (band 8) phase by -0.801423 + 0.598098i; max ampl. = 0.582082 Fixing e-field (band 9) phase by 0.502154 + -0.864778i; max ampl. = 0.503748 Fixing e-field (band 10) phase by 0.833535 + -0.552467i; max ampl. = 0.514872 Fixing e-field (band 11) phase by 0.701379 + -0.712788i; max ampl. = 0.525048 Fixing e-field (band 12) phase by -0.711256 + 0.702933i; max ampl. = 0.596428 Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k01.b01.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k01.b02.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k01.b03.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k01.b04.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k01.b05.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k01.b06.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k01.b07.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k01.b08.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k01.b09.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k01.b10.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k01.b11.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k01.b12.z.tm.h5... solve_kpoint (0.1,0.35,0): Solving for bands 1 to 6... linmin: converged after 6 iterations. iteration 1: trace = 0.1859754481091576 (4.37841% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1858559071650495 (0.0642985% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1858523719592242 (0.00190214% change) linmin: converged after 3 iterations. iteration 4: trace = 0.185852279461953 (4.97692e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1858522774470826 (1.08412e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.185852277394527 (2.82782e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1858522773930403 (7.99936e-10% change) linmin: converged after 5 iterations. iteration 8: trace = 0.1858522773929408 (5.35392e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.339583206387474 (1.2622% change) linmin: converged after 5 iterations. iteration 2: trace = 1.330637626462724 (0.670025% change) linmin: converged after 5 iterations. iteration 3: trace = 1.326359143522561 (0.322054% change) linmin: converged after 5 iterations. iteration 4: trace = 1.324059417054375 (0.173537% change) linmin: converged after 5 iterations. iteration 5: trace = 1.322335659994504 (0.130272% change) linmin: converged after 4 iterations. iteration 6: trace = 1.321900842351115 (0.032888% change) linmin: converged after 4 iterations. iteration 7: trace = 1.32178958219174 (0.00841703% change) linmin: converged after 4 iterations. iteration 8: trace = 1.321750554891673 (0.00295265% change) linmin: converged after 20 iterations. iteration 9: trace = 1.321739521847598 (0.000834733% change) linmin: converged after 5 iterations. iteration 10: trace = 1.321725729409718 (0.00104351% change) linmin: converged after 13 iterations. iteration 11: trace = 1.321717827626583 (0.00059784% change) linmin: converged after 5 iterations. iteration 12: trace = 1.321715607967183 (0.000167938% change) linmin: converged after 5 iterations. iteration 13: trace = 1.321714313062138 (9.79716e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 1.321713670509416 (4.86151e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.321713167838725 (3.80317e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.321712690347704 (3.61267e-05% change) linmin: converged after 12 iterations. iteration 17: trace = 1.321712534925789 (1.17591e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.321712450687672 (6.37341e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 1.321712392022061 (4.43861e-06% change) linmin: converged after 10 iterations. iteration 20: trace = 1.321712300288502 (6.94051e-06% change) linmin: converged after 6 iterations. iteration 21: trace = 1.32171212333836 (1.33879e-05% change) linmin: converged after 11 iterations. iteration 22: trace = 1.321712019290998 (7.87217e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 1.321711840506399 (1.35267e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.321711646564274 (1.46736e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.321711536308317 (8.34191e-06% change) linmin: converged after 5 iterations. iteration 26: trace = 1.321711488279375 (3.63384e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.321711471301061 (1.28457e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 1.321711467138417 (3.14943e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.32171146611666 (7.73056e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.321711465723487 (2.97473e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 1.321711465580996 (1.07808e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 1.321711465510921 (5.30184e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.321711465480892 (2.27195e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 1.321711465470898 (7.56175e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 1.321711465466497 (3.32955e-10% change) linmin: converged after 2 iterations. iteration 36: trace = 1.32171146546497 (1.15549e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 1.321711465463817 (8.72245e-11% change) Finished solving for bands 7 to 12 after 37 iterations. Finished k-point with 22.5 mean iterations/band. tmfreqs:, 2, 0.1, 0.35, 0, 0.1, 0.0643286, 0.117273, 0.128193, 0.198551, 0.216266, 0.255606, 0.34632, 0.457251, 0.464418, 0.494572, 0.497876, 0.533413 elapsed time for k point: 2.8368265628814697 Fixing e-field (band 1) phase by -1 + 2.71729e-09i; max ampl. = 0.279221 Fixing e-field (band 2) phase by 0.0662281 + 0.997805i; max ampl. = 0.368961 Fixing e-field (band 3) phase by 1 + -3.08364e-07i; max ampl. = 0.357513 Fixing e-field (band 4) phase by -0.00791573 + -0.999969i; max ampl. = 0.410959 Fixing e-field (band 5) phase by -1 + 1.15883e-06i; max ampl. = 0.464942 Fixing e-field (band 6) phase by 0.000718213 + 1i; max ampl. = 0.463983 Fixing e-field (band 7) phase by 1 + 1.0543e-08i; max ampl. = 0.893105 Fixing e-field (band 8) phase by -1 + 4.80893e-06i; max ampl. = 0.585113 Fixing e-field (band 9) phase by 2.44625e-05 + -1i; max ampl. = 0.51118 Fixing e-field (band 10) phase by 1 + 8.06413e-05i; max ampl. = 0.50134 Fixing e-field (band 11) phase by 2.03309e-05 + 1i; max ampl. = 0.518018 Fixing e-field (band 12) phase by -0.000314814 + -1i; max ampl. = 0.377816 Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k02.b01.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k02.b02.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k02.b03.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k02.b04.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k02.b05.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k02.b06.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k02.b07.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k02.b08.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k02.b09.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k02.b10.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k02.b11.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k02.b12.z.tm.h5... solve_kpoint (0.2,0.7,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.2388580307782935 (6.66113% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2385221713841859 (0.140709% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2385114100977178 (0.00451175% change) linmin: converged after 2 iterations. iteration 4: trace = 0.2385111473622854 (0.000110156% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2385111400807255 (3.05292e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2385111399219119 (6.65854e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2385111399179209 (1.67326e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2385111399178053 (4.84798e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.328636670006199 (1.75254% change) linmin: converged after 5 iterations. iteration 2: trace = 1.320923404597176 (0.58223% change) linmin: converged after 5 iterations. iteration 3: trace = 1.318308076142624 (0.198189% change) linmin: converged after 4 iterations. iteration 4: trace = 1.317956425796222 (0.0266779% change) linmin: converged after 4 iterations. iteration 5: trace = 1.317882727764323 (0.005592% change) linmin: converged after 5 iterations. iteration 6: trace = 1.317830321378354 (0.00397664% change) linmin: converged after 5 iterations. iteration 7: trace = 1.317816402660243 (0.00105619% change) linmin: converged after 6 iterations. iteration 8: trace = 1.31780603388438 (0.000786818% change) linmin: converged after 6 iterations. iteration 9: trace = 1.317799113943021 (0.000525112% change) linmin: converged after 5 iterations. iteration 10: trace = 1.317797254180055 (0.000141127% change) linmin: converged after 5 iterations. iteration 11: trace = 1.317796412531093 (6.38679e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 1.317796108434024 (2.30762e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.317796055319496 (4.03056e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.317796024475395 (2.34058e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.317796013255818 (8.51389e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 1.317796004199736 (6.87214e-07% change) large trace change predicted (1.71404e-06%) linmin: converged after 7 iterations. iteration 17: trace = 1.317795981612284 (1.71403e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.317795944623454 (2.80687e-06% change) large trace change predicted (6.37229e-06%) linmin: converged after 3 iterations. iteration 19: trace = 1.317795860651392 (6.37216e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 1.317795777380741 (6.31893e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.317795748000617 (2.22949e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 1.317795733123424 (1.12895e-06% change) linmin: converged after 8 iterations. iteration 23: trace = 1.317795727441443 (4.31173e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.317795724798869 (2.0053e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.317795723846539 (7.22669e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.317795723608513 (1.80624e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.317795723503123 (7.99747e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.31779572343886 (4.87654e-09% change) linmin: converged after 9 iterations. iteration 29: trace = 1.317795723419224 (1.49005e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 1.317795723411639 (5.75603e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 1.317795723409145 (1.89239e-10% change) linmin: converged after 13 iterations. iteration 32: trace = 1.317795723408441 (5.34809e-11% change) Finished solving for bands 7 to 12 after 32 iterations. Finished k-point with 20 mean iterations/band. tmfreqs:, 3, 0.2, 0.7, 0, 0.2, 0.12511, 0.154647, 0.167476, 0.216994, 0.234024, 0.262757, 0.372785, 0.466507, 0.471319, 0.486474, 0.490761, 0.511423 elapsed time for k point: 2.50471568107605 Fixing e-field (band 1) phase by 1 + -6.82528e-16i; max ampl. = 0.316626 Fixing e-field (band 2) phase by 7.2425e-11 + 1i; max ampl. = 0.383063 Fixing e-field (band 3) phase by 1 + -1.02584e-14i; max ampl. = 0.3761 Fixing e-field (band 4) phase by -8.73536e-10 + -1i; max ampl. = 0.424925 Fixing e-field (band 5) phase by 1 + 1.32189e-13i; max ampl. = 0.480327 Fixing e-field (band 6) phase by 4.71113e-10 + -1i; max ampl. = 0.472091 Fixing e-field (band 7) phase by 1 + -1.07543e-12i; max ampl. = 0.919529 Fixing e-field (band 8) phase by -1 + -1.6679e-11i; max ampl. = 0.593898 Fixing e-field (band 9) phase by 1.07949e-07 + 1i; max ampl. = 0.521242 Fixing e-field (band 10) phase by -1 + 3.83586e-10i; max ampl. = 0.454743 Fixing e-field (band 11) phase by 4.76484e-08 + 1i; max ampl. = 0.493615 Fixing e-field (band 12) phase by -1.94491e-06 + -1i; max ampl. = 0.473136 Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k03.b01.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k03.b02.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k03.b03.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k03.b04.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k03.b05.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k03.b06.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k03.b07.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k03.b08.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k03.b09.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k03.b10.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k03.b11.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k03.b12.z.tm.h5... solve_kpoint (0.3,1.05,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.3105199359398263 (8.73919% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3098465068863809 (0.217107% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3098220243218767 (0.00790183% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3098213546274154 (0.000216155% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3098213374848053 (5.53306e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3098213371379583 (1.11951e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.3098213371286765 (2.99587e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3098213371284357 (7.77067e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.321059189127509 (2.52198% change) linmin: converged after 5 iterations. iteration 2: trace = 1.312228993777749 (0.670659% change) linmin: converged after 5 iterations. iteration 3: trace = 1.308669436161193 (0.271629% change) linmin: converged after 5 iterations. iteration 4: trace = 1.30752816823242 (0.0872463% change) linmin: converged after 4 iterations. iteration 5: trace = 1.307108376389703 (0.0321109% change) linmin: converged after 4 iterations. iteration 6: trace = 1.30696761284144 (0.0107697% change) linmin: converged after 4 iterations. iteration 7: trace = 1.306921046900235 (0.00356296% change) linmin: converged after 21 iterations. iteration 8: trace = 1.306903167978996 (0.00136803% change) linmin: converged after 4 iterations. iteration 9: trace = 1.306896582435263 (0.000503906% change) linmin: converged after 4 iterations. iteration 10: trace = 1.30689446894793 (0.000161718% change) linmin: converged after 12 iterations. iteration 11: trace = 1.306893729365238 (5.65909e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 1.306893106706858 (4.76442e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.30689265613064 (3.44769e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.306892370748475 (2.18367e-05% change) linmin: converged after 6 iterations. iteration 15: trace = 1.306892063566315 (2.35048e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.306891774947839 (2.20843e-05% change) linmin: converged after 12 iterations. iteration 17: trace = 1.306891306602441 (3.58366e-05% change) large trace change predicted (0.0001439%) linmin: converged after 8 iterations. iteration 18: trace = 1.306889429012842 (0.000143668% change) large trace change predicted (0.000647089%) linmin: converged after 9 iterations. iteration 19: trace = 1.306881342207082 (0.000618785% change) near maximum in trace linmin: converged after 12 iterations. iteration 20: trace = 1.306841864487251 (0.0030208% change) linmin: converged after 6 iterations. iteration 21: trace = 1.306814316552054 (0.002108% change) linmin: converged after 5 iterations. iteration 22: trace = 1.306780215442296 (0.00260952% change) linmin: converged after 7 iterations. iteration 23: trace = 1.306736703659427 (0.00332975% change) linmin: converged after 7 iterations. iteration 24: trace = 1.306707761841436 (0.00221484% change) linmin: converged after 5 iterations. iteration 25: trace = 1.306694949925336 (0.000980478% change) linmin: converged after 6 iterations. iteration 26: trace = 1.306687571934349 (0.000564632% change) linmin: converged after 5 iterations. iteration 27: trace = 1.306683169922045 (0.000336884% change) linmin: converged after 7 iterations. iteration 28: trace = 1.306680461215162 (0.000207297% change) linmin: converged after 5 iterations. iteration 29: trace = 1.306678614126061 (0.000141357% change) linmin: converged after 5 iterations. iteration 30: trace = 1.30667729222559 (0.000101165% change) linmin: converged after 5 iterations. iteration 31: trace = 1.306676263910508 (7.8697e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 1.306675403422088 (6.58532e-05% change) linmin: converged after 6 iterations. iteration 33: trace = 1.306674673082354 (5.5893e-05% change) linmin: converged after 4 iterations. iteration 34: trace = 1.306674108958323 (4.31725e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 1.306673737757478 (2.84081e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 1.306673513972789 (1.71263e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.306673362550895 (1.15884e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 1.306673228443834 (1.02632e-05% change) linmin: converged after 6 iterations. iteration 39: trace = 1.30667310972629 (9.08548e-06% change) linmin: converged after 14 iterations. iteration 40: trace = 1.306673026784629 (6.34755e-06% change) linmin: converged after 4 iterations. iteration 41: trace = 1.306672971286188 (4.24731e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 1.3066729311988 (3.0679e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 1.30667290041435 (2.35594e-06% change) linmin: converged after 9 iterations. iteration 44: trace = 1.306672873947246 (2.02553e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 1.306672849945494 (1.83686e-06% change) linmin: converged after 4 iterations. iteration 46: trace = 1.306672828024667 (1.67761e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 1.306672808485728 (1.49532e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 1.306672792907381 (1.19221e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 1.306672780718634 (9.32808e-07% change) linmin: converged after 4 iterations. iteration 50: trace = 1.306672769610236 (8.50129e-07% change) linmin: converged after 5 iterations. iteration 51: trace = 1.306672758259629 (8.68665e-07% change) linmin: converged after 4 iterations. iteration 52: trace = 1.306672746652828 (8.88271e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 1.30667273422046 (9.51452e-07% change) linmin: converged after 5 iterations. iteration 54: trace = 1.306672719738721 (1.10829e-06% change) linmin: converged after 4 iterations. iteration 55: trace = 1.3066727034445 (1.247e-06% change) linmin: converged after 15 iterations. iteration 56: trace = 1.306672685738653 (1.35503e-06% change) linmin: converged after 19 iterations. iteration 57: trace = 1.306672664170771 (1.6506e-06% change) linmin: converged after 10 iterations. iteration 58: trace = 1.30667263362801 (2.33745e-06% change) linmin: converged after 6 iterations. iteration 59: trace = 1.306672591458956 (3.22721e-06% change) linmin: converged after 7 iterations. iteration 60: trace = 1.306672545963329 (3.48179e-06% change) linmin: converged after 5 iterations. iteration 61: trace = 1.306672503515198 (3.24857e-06% change) linmin: converged after 4 iterations. iteration 62: trace = 1.306672460357219 (3.30289e-06% change) linmin: converged after 4 iterations. iteration 63: trace = 1.306672416073721 (3.38903e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 1.306672371478941 (3.41285e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 1.306672322054038 (3.7825e-06% change) linmin: converged after 4 iterations. iteration 66: trace = 1.3066722668028 (4.22839e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 1.306672213765371 (4.05897e-06% change) linmin: converged after 4 iterations. iteration 68: trace = 1.306672169763773 (3.36746e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 1.306672130601999 (2.99706e-06% change) resetting CG direction... large trace change predicted (6.25567e-06%) linmin: converged after 3 iterations. iteration 70: trace = 1.306672048861574 (6.25562e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.306672012713446 (2.76643e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 1.306672000116585 (9.64042e-07% change) linmin: converged after 2 iterations. iteration 73: trace = 1.306671995828148 (3.28195e-07% change) linmin: converged after 2 iterations. iteration 74: trace = 1.306671993020283 (2.14887e-07% change) linmin: converged after 2 iterations. iteration 75: trace = 1.306671990417386 (1.992e-07% change) linmin: converged after 2 iterations. iteration 76: trace = 1.306671989160045 (9.62247e-08% change) linmin: converged after 3 iterations. iteration 77: trace = 1.306671988484451 (5.17034e-08% change) linmin: converged after 3 iterations. iteration 78: trace = 1.306671987990712 (3.7786e-08% change) linmin: converged after 26 iterations. iteration 79: trace = 1.306671987256564 (5.61846e-08% change) large trace change predicted (1.13008e-07%) linmin: converged after 2 iterations. iteration 80: trace = 1.306671985779921 (1.13008e-07% change) large trace change predicted (2.50175e-07%) linmin: converged after 3 iterations. iteration 81: trace = 1.306671982510954 (2.50175e-07% change) large trace change predicted (5.42191e-07%) linmin: converged after 4 iterations. iteration 82: trace = 1.306671975426356 (5.42186e-07% change) linmin: converged after 11 iterations. iteration 83: trace = 1.306671966780939 (6.61636e-07% change) linmin: converged after 3 iterations. iteration 84: trace = 1.306671961716688 (3.87569e-07% change) linmin: converged after 3 iterations. iteration 85: trace = 1.306671959301573 (1.84829e-07% change) linmin: converged after 25 iterations. iteration 86: trace = 1.306671956817997 (1.90069e-07% change) linmin: converged after 2 iterations. iteration 87: trace = 1.306671955127981 (1.29337e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 1.306671954377733 (5.74167e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 1.306671954035983 (2.61543e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 1.306671953899631 (1.0435e-08% change) linmin: converged after 5 iterations. iteration 91: trace = 1.306671953836779 (4.81008e-09% change) linmin: converged after 3 iterations. iteration 92: trace = 1.306671953798482 (2.93086e-09% change) linmin: converged after 2 iterations. iteration 93: trace = 1.306671953790933 (5.77716e-10% change) linmin: converged after 3 iterations. iteration 94: trace = 1.306671953788974 (1.49981e-10% change) linmin: converged after 3 iterations. iteration 95: trace = 1.306671953788103 (6.66471e-11% change) Finished solving for bands 7 to 12 after 95 iterations. Finished k-point with 51.5 mean iterations/band. tmfreqs:, 4, 0.3, 1.05, 0, 0.3, 0.179731, 0.197126, 0.209614, 0.239781, 0.253491, 0.270127, 0.412201, 0.46839, 0.470281, 0.47669, 0.478853, 0.489567 elapsed time for k point: 6.600524187088013 Fixing e-field (band 1) phase by 1 + -2.75135e-17i; max ampl. = 0.362092 Fixing e-field (band 2) phase by -5.46291e-13 + 1i; max ampl. = 0.407764 Fixing e-field (band 3) phase by 1 + 7.73226e-16i; max ampl. = 0.420136 Fixing e-field (band 4) phase by 8.41044e-12 + 1i; max ampl. = 0.446788 Fixing e-field (band 5) phase by 1 + 2.06185e-15i; max ampl. = 0.496332 Fixing e-field (band 6) phase by 1.49281e-11 + -1i; max ampl. = 0.481878 Fixing e-field (band 7) phase by 1 + -5.3054e-14i; max ampl. = 0.896831 Fixing e-field (band 8) phase by -1.25716e-11 + -1i; max ampl. = 0.458802 Fixing e-field (band 9) phase by -1 + -3.5057e-11i; max ampl. = 0.495105 Fixing e-field (band 10) phase by 1 + -6.97023e-13i; max ampl. = 0.483552 Fixing e-field (band 11) phase by -5.88532e-11 + 1i; max ampl. = 0.523494 Fixing e-field (band 12) phase by -1 + -7.1595e-11i; max ampl. = 0.423458 Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k04.b01.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k04.b02.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k04.b03.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k04.b04.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k04.b05.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k04.b06.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k04.b07.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k04.b08.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k04.b09.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k04.b10.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k04.b11.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k04.b12.z.tm.h5... solve_kpoint (0.4,1.4,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.3762985016867429 (10.9545% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3750342117371674 (0.336546% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3749816076769493 (0.0140275% change) linmin: converged after 4 iterations. iteration 4: trace = 0.374980274952211 (0.000355411% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3749802409984998 (9.0548e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.374980240400922 (1.59362e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.374980240382886 (4.80987e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3749802403822895 (1.59066e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3749802403822777 (3.1532e-12% change) Finished solving for bands 1 to 6 after 9 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.298011037450888 (3.05087% change) linmin: converged after 5 iterations. iteration 2: trace = 1.290256309339073 (0.599222% change) linmin: converged after 5 iterations. iteration 3: trace = 1.288297984134882 (0.151893% change) linmin: converged after 4 iterations. iteration 4: trace = 1.287877230188958 (0.032665% change) linmin: converged after 4 iterations. iteration 5: trace = 1.287688339105247 (0.0146679% change) linmin: converged after 3 iterations. iteration 6: trace = 1.287483849795306 (0.0158816% change) large trace change predicted (0.0565886%) linmin: converged after 7 iterations. iteration 7: trace = 1.286852872899658 (0.0490205% change) large trace change predicted (1.10958%) linmin: converged after 12 iterations. iteration 8: trace = 1.285207986300495 (0.127904% change) linmin: converged after 5 iterations. iteration 9: trace = 1.283531769156693 (0.130509% change) linmin: converged after 8 iterations. iteration 10: trace = 1.280537500919504 (0.233556% change) linmin: converged after 8 iterations. iteration 11: trace = 1.277572726722987 (0.231794% change) linmin: converged after 13 iterations. iteration 12: trace = 1.275637347787294 (0.151604% change) linmin: converged after 6 iterations. iteration 13: trace = 1.274202245355301 (0.112564% change) linmin: converged after 10 iterations. iteration 14: trace = 1.273022593218861 (0.0926225% change) linmin: converged after 7 iterations. iteration 15: trace = 1.272080217174056 (0.0740541% change) linmin: converged after 6 iterations. iteration 16: trace = 1.271347536676106 (0.0576136% change) linmin: converged after 5 iterations. iteration 17: trace = 1.270883531558593 (0.0365038% change) linmin: converged after 5 iterations. iteration 18: trace = 1.270618409932094 (0.0208634% change) linmin: converged after 6 iterations. iteration 19: trace = 1.270378371387846 (0.0188933% change) linmin: converged after 6 iterations. iteration 20: trace = 1.270104933525094 (0.0215264% change) linmin: converged after 5 iterations. iteration 21: trace = 1.269895616981365 (0.0164816% change) linmin: converged after 5 iterations. iteration 22: trace = 1.269782882543584 (0.00887785% change) linmin: converged after 8 iterations. iteration 23: trace = 1.26971975052637 (0.004972% change) linmin: converged after 6 iterations. iteration 24: trace = 1.269676766242103 (0.00338539% change) linmin: converged after 5 iterations. iteration 25: trace = 1.269642283515616 (0.0027159% change) linmin: converged after 5 iterations. iteration 26: trace = 1.269619087297079 (0.00182701% change) linmin: converged after 4 iterations. iteration 27: trace = 1.269607472617383 (0.00091482% change) linmin: converged after 5 iterations. iteration 28: trace = 1.269600759471964 (0.000528759% change) linmin: converged after 4 iterations. iteration 29: trace = 1.269595124998362 (0.0004438% change) linmin: converged after 6 iterations. iteration 30: trace = 1.26959037654775 (0.000374014% change) linmin: converged after 6 iterations. iteration 31: trace = 1.269587297945012 (0.000242488% change) linmin: converged after 5 iterations. iteration 32: trace = 1.269585545807626 (0.000138009% change) linmin: converged after 5 iterations. iteration 33: trace = 1.269584427082161 (8.81174e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.269583608524838 (6.44745e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 1.2695830438368 (4.44782e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 1.269582710114235 (2.6286e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 1.269582517550875 (1.51675e-05% change) linmin: converged after 10 iterations. iteration 38: trace = 1.269582385121677 (1.04309e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 1.269582283107786 (8.03523e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 1.26958221489944 (5.3725e-06% change) linmin: converged after 3 iterations. iteration 41: trace = 1.269582174668829 (3.16881e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 1.269582148214321 (2.08372e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 1.269582127625824 (1.62168e-06% change) linmin: converged after 3 iterations. iteration 44: trace = 1.269582111949255 (1.23478e-06% change) linmin: converged after 4 iterations. iteration 45: trace = 1.269582102246917 (7.64215e-07% change) linmin: converged after 4 iterations. iteration 46: trace = 1.269582096787762 (4.29996e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 1.269582093350319 (2.70754e-07% change) linmin: converged after 25 iterations. iteration 48: trace = 1.269582091147726 (1.7349e-07% change) linmin: converged after 5 iterations. iteration 49: trace = 1.269582089807246 (1.05584e-07% change) linmin: converged after 3 iterations. iteration 50: trace = 1.269582088919537 (6.99214e-08% change) linmin: converged after 3 iterations. iteration 51: trace = 1.269582088275209 (5.07511e-08% change) linmin: converged after 12 iterations. iteration 52: trace = 1.269582087761116 (4.04931e-08% change) linmin: converged after 6 iterations. iteration 53: trace = 1.269582087362649 (3.13857e-08% change) linmin: converged after 4 iterations. iteration 54: trace = 1.269582087136698 (1.77973e-08% change) linmin: converged after 5 iterations. iteration 55: trace = 1.269582087015938 (9.51178e-09% change) linmin: converged after 10 iterations. iteration 56: trace = 1.269582086921819 (7.41336e-09% change) linmin: converged after 9 iterations. iteration 57: trace = 1.269582086848776 (5.75334e-09% change) linmin: converged after 3 iterations. iteration 58: trace = 1.269582086810795 (2.99161e-09% change) linmin: converged after 3 iterations. iteration 59: trace = 1.269582086792667 (1.42787e-09% change) linmin: converged after 3 iterations. iteration 60: trace = 1.269582086781343 (8.91969e-10% change) linmin: converged after 22 iterations. iteration 61: trace = 1.269582086771754 (7.55235e-10% change) linmin: converged after 4 iterations. iteration 62: trace = 1.269582086762927 (6.95316e-10% change) linmin: converged after 3 iterations. iteration 63: trace = 1.269582086756819 (4.81086e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 1.269582086753477 (2.63218e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 1.269582086751103 (1.86981e-10% change) linmin: converged after 4 iterations. iteration 66: trace = 1.26958208674973 (1.08156e-10% change) linmin: converged after 3 iterations. iteration 67: trace = 1.269582086748918 (6.39769e-11% change) Finished solving for bands 7 to 12 after 67 iterations. Finished k-point with 38 mean iterations/band. tmfreqs:, 5, 0.4, 1.4, 0, 0.4, 0.225148, 0.234786, 0.243351, 0.257936, 0.264707, 0.270821, 0.441523, 0.454532, 0.455044, 0.464121, 0.471551, 0.472447 elapsed time for k point: 4.89966893196106 Fixing e-field (band 1) phase by 1 + -5.46751e-17i; max ampl. = 0.407996 Fixing e-field (band 2) phase by 5.82451e-12 + 1i; max ampl. = 0.441101 Fixing e-field (band 3) phase by -1 + -1.72583e-15i; max ampl. = 0.464954 Fixing e-field (band 4) phase by 5.66708e-12 + 1i; max ampl. = 0.46974 Fixing e-field (band 5) phase by 1 + 4.83054e-15i; max ampl. = 0.505749 Fixing e-field (band 6) phase by 1.06e-11 + -1i; max ampl. = 0.483913 Fixing e-field (band 7) phase by 1 + 9.52591e-15i; max ampl. = 0.643734 Fixing e-field (band 8) phase by -6.23574e-12 + 1i; max ampl. = 0.465166 Fixing e-field (band 9) phase by 1 + -1.16465e-13i; max ampl. = 0.43823 Fixing e-field (band 10) phase by 7.8665e-14 + 1i; max ampl. = 0.518507 Fixing e-field (band 11) phase by -1 + 5.75418e-12i; max ampl. = 0.471405 Fixing e-field (band 12) phase by 1.49053e-13 + 1i; max ampl. = 0.443866 Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k05.b01.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k05.b02.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k05.b03.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k05.b04.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k05.b05.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k05.b06.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k05.b07.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k05.b08.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k05.b09.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k05.b10.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k05.b11.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k05.b12.z.tm.h5... solve_kpoint (0.5,1.75,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.4044979732169222 (13.7656% change) linmin: converged after 4 iterations. iteration 2: trace = 0.4025034611955528 (0.494302% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4024212890120756 (0.0204174% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4024194033576305 (0.000468578% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4024193544035437 (1.21649e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.4024193537759778 (1.55948e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.4024193537536845 (5.5398e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.4024193537529453 (1.83699e-10% change) linmin: converged after 5 iterations. iteration 9: trace = 0.4024193537529306 (3.6555e-12% change) Finished solving for bands 1 to 6 after 9 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.246579896081836 (3.2355% change) linmin: converged after 5 iterations. iteration 2: trace = 1.241420423793925 (0.414749% change) linmin: converged after 5 iterations. iteration 3: trace = 1.240323895101388 (0.0883676% change) linmin: converged after 4 iterations. iteration 4: trace = 1.240074667273208 (0.0200958% change) linmin: converged after 6 iterations. iteration 5: trace = 1.240049955230067 (0.00199281% change) linmin: converged after 5 iterations. iteration 6: trace = 1.240046276550807 (0.000296656% change) linmin: converged after 5 iterations. iteration 7: trace = 1.240045445498688 (6.70179e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 1.240045287286184 (1.27586e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.240045263300231 (1.93428e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 1.240045258080154 (4.20959e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 1.240045257186142 (7.20951e-08% change) linmin: converged after 7 iterations. iteration 12: trace = 1.240045257084779 (8.17415e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 1.240045257064698 (1.6194e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 1.240045257061232 (2.79515e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 1.240045257060959 (2.20425e-11% change) Finished solving for bands 7 to 12 after 15 iterations. Finished k-point with 12 mean iterations/band. tmfreqs:, 6, 0.5, 1.75, 0, 0.5, 0.25635, 0.256978, 0.258342, 0.259571, 0.260868, 0.261719, 0.442498, 0.448263, 0.451495, 0.456403, 0.462907, 0.46569 elapsed time for k point: 1.489145278930664 Fixing e-field (band 1) phase by 1 + -1.14824e-16i; max ampl. = 0.422882 Fixing e-field (band 2) phase by 3.66024e-12 + -1i; max ampl. = 0.466091 Fixing e-field (band 3) phase by 1 + 4.89643e-16i; max ampl. = 0.462198 Fixing e-field (band 4) phase by 4.09412e-12 + -1i; max ampl. = 0.471227 Fixing e-field (band 5) phase by 1 + -1.73944e-14i; max ampl. = 0.472309 Fixing e-field (band 6) phase by 2.71292e-11 + 1i; max ampl. = 0.476607 Fixing e-field (band 7) phase by 1 + -3.4739e-16i; max ampl. = 0.600013 Fixing e-field (band 8) phase by 5.85149e-13 + -1i; max ampl. = 0.468917 Fixing e-field (band 9) phase by 1 + 9.52379e-16i; max ampl. = 0.508553 Fixing e-field (band 10) phase by 8.30064e-13 + 1i; max ampl. = 0.472551 Fixing e-field (band 11) phase by 1 + -8.1609e-15i; max ampl. = 0.507635 Fixing e-field (band 12) phase by 1.29014e-12 + 1i; max ampl. = 0.465525 ..Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k06.b01.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k06.b02.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k06.b03.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k06.b04.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k06.b05.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k06.b06.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k06.b07.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k06.b08.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k06.b09.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k06.b10.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k06.b11.z.tm.h5... Outputting fields to /tmp/meepW1wGQn/test_line_defect-0-e.k06.b12.z.tm.h5... Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2563501053544449 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 2 range: 0.10088801014542159 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278226 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 3 range: 0.11054374616923973 at Vector3<0.0, 0.0, 0.0> to 0.2583418799179738 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 4 range: 0.19143758098896238 at Vector3<0.0, 0.0, 0.0> to 0.25957071278987937 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 5 range: 0.20907741437429678 at Vector3<0.0, 0.0, 0.0> to 0.26470695742810507 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 6 range: 0.25276899480758735 at Vector3<0.0, 0.0, 0.0> to 0.2708212636676005 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 7 range: 0.3373371031125573 at Vector3<0.0, 0.0, 0.0> to 0.442497664916941 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 8 range: 0.4482627765538238 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.4683903271760474 at Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Band 9 range: 0.45149540295292034 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.47131948362277304 at Vector3<0.2000000000000001, 0.7000000000000002, 0.0> Band 10 range: 0.4564025367780167 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.4964850886925295 at Vector3<0.0, 0.0, 0.0> Band 11 range: 0.46290665804314046 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49948776938324024 at Vector3<0.0, 0.0, 0.0> Band 12 range: 0.4656904639721229 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661471 at Vector3<0.0, 0.0, 0.0> Gap from band 6 (0.2708212636676005) to band 7 (0.3373371031125573), 21.87451265272209% Gap from band 7 (0.442497664916941) to band 8 (0.4482627765538238), 1.2944247113991372% total elapsed time for run: 23.5529043674469 done /tmp/meepW1wGQn/test_line_defect-0: 23.57s /tmp/meepW1wGQn/test_list_split-0 ======================== /tmp/meepW1wGQn/test_list_split-0: 0.00s /tmp/meepW1wGQn/test_load_and_save_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004548311233520508 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.35724377632141113 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.0273594856262207 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.2248554229736328 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20893216133117676 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.24167084693908691 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3761472702026367 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.2843599319458008 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.24171161651611328 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.2085111141204834 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.19960451126098633 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.19909048080444336 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.15738153457641602 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.1828155517578125 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.25022220611572266 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.29245591163635254 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6325278282165527 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.09075403213501 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004390716552734375 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3563649654388428 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.0277743339538574 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.22510814666748047 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20885205268859863 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.24169206619262695 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.37651753425598145 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.2844407558441162 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.2418994903564453 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.20846152305603027 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.19953274726867676 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.19928598403930664 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.15743136405944824 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.18273282051086426 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.2504873275756836 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.29279160499572754 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.6333866119384766 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.092419862747192 done /tmp/meepW1wGQn/test_load_and_save_eigenvectors-0: 10.19s /tmp/meepW1wGQn/test_maximize_first_tm_gap-0 ======================== Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.252786, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0030677318572998047 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 0.4898474331528378 (198.799% change) linmin: converged after 7 iterations. iteration 2: trace = 0.2634327276606201 (60.1143% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2256354401058421 (15.4569% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2118795772470989 (6.28818% change) linmin: converged after 6 iterations. iteration 5: trace = 0.209324051991165 (1.21344% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2091127254372672 (0.101008% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2090852588528246 (0.0131357% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2090837640052222 (0.000714949% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2090835745606499 (9.06071e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 0.209083529405388 (2.15968e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.2090835264202499 (1.42773e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2090835262060449 (1.02449e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2090835261751922 (1.47562e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 0.2090835261708316 (2.08554e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 0.2090835261706046 (1.08575e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2090835261705098 (4.53337e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.457257 elapsed time for k point: 0.011729955673217773 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.2098651202886063 (4.6103% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2077435553715474 (1.01605% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2065876445984874 (0.557965% change) large trace change predicted (1.26308%) linmin: converged after 5 iterations. iteration 4: trace = 0.2036945327837808 (1.4103% change) linmin: converged after 7 iterations. iteration 5: trace = 0.2020820274046543 (0.794775% change) linmin: converged after 7 iterations. iteration 6: trace = 0.2017151357863382 (0.181721% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2016398542659874 (0.0373277% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2015598361329389 (0.0396916% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2014449638047127 (0.0570079% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2014122707806731 (0.0162306% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2014087537593248 (0.0017462% change) linmin: converged after 14 iterations. iteration 12: trace = 0.2014078549178331 (0.000446278% change) linmin: converged after 5 iterations. iteration 13: trace = 0.2014061973775295 (0.00082298% change) linmin: converged after 7 iterations. iteration 14: trace = 0.2014048838687064 (0.000652171% change) linmin: converged after 5 iterations. iteration 15: trace = 0.2014047218138995 (8.04622e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2014047010268341 (1.0321e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 0.201404685381231 (7.76824e-06% change) linmin: converged after 5 iterations. iteration 18: trace = 0.2014046607648077 (1.22224e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 0.201404651984411 (4.35958e-06% change) linmin: converged after 7 iterations. iteration 20: trace = 0.2014046509574584 (5.09895e-07% change) linmin: converged after 26 iterations. iteration 21: trace = 0.2014046507828931 (8.66739e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 0.2014046504702563 (1.55228e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 0.201404650217112 (1.25689e-07% change) linmin: converged after 15 iterations. iteration 24: trace = 0.2014046501748765 (2.09705e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 0.2014046501695856 (2.62699e-09% change) linmin: converged after 5 iterations. iteration 26: trace = 0.2014046501671017 (1.23329e-09% change) large trace change predicted (2.54488e-09%) linmin: converged after 3 iterations. iteration 27: trace = 0.2014046501619808 (2.54259e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 0.2014046501601664 (9.00864e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 0.2014046501599534 (1.05742e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 0.2014046501599123 (2.04372e-11% change) Finished solving for bands 1 to 2 after 30 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0554835, 0.445338 elapsed time for k point: 0.03998279571533203 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.188699385358874 (5.81613% change) linmin: converged after 5 iterations. iteration 2: trace = 0.187932965403054 (0.406986% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1879019987162394 (0.0164789% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1879007700599345 (0.000653884% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1879007324411788 (2.00205e-05% change) linmin: converged after 19 iterations. iteration 6: trace = 0.187900730110986 (1.24012e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1879007300208399 (4.79754e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1879007300174003 (1.83056e-09% change) linmin: converged after 5 iterations. iteration 9: trace = 0.1879007300173176 (4.39892e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.108796, 0.4196 elapsed time for k point: 0.01275324821472168 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1770906204474321 (5.09773% change) linmin: converged after 4 iterations. iteration 2: trace = 0.17686763341533 (0.125996% change) linmin: converged after 3 iterations. iteration 3: trace = 0.176857607226484 (0.00566891% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1768571937062108 (0.000233816% change) linmin: converged after 2 iterations. iteration 5: trace = 0.176857184611066 (5.14265e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1768571842635603 (1.96489e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1768571842571171 (3.64315e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1768571842568874 (1.29866e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1768571842568801 (4.11177e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.157121, 0.39009 elapsed time for k point: 0.012724637985229492 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1703028333697398 (5.07332% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1701701834280544 (0.077921% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1701632888796343 (0.00405164% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1701630475985813 (0.000141794% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1701630438206581 (2.22018e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.170163043679694 (8.28406e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1701630436771918 (1.47048e-09% change) linmin: converged after 14 iterations. iteration 8: trace = 0.1701630436771222 (4.09247e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.195165, 0.36342 elapsed time for k point: 0.011436700820922852 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1680722256068123 (5.13139% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1679599575333088 (0.0668198% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1679544178043843 (0.0032983% change) linmin: converged after 2 iterations. iteration 4: trace = 0.167954204675805 (0.000126897% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1679542018800739 (1.66458e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1679542017770076 (6.13657e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1679542017749326 (1.23544e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.167954201774869 (3.78603e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.211216, 0.351201 elapsed time for k point: 0.011386394500732422 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 3 iterations. iteration 1: trace = 0.1727907851940623 (0.90973% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1727441194082773 (0.0270108% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1727422906716332 (0.00105864% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1727422490693742 (2.40834e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1727422479861119 (6.27097e-07% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1727422479682355 (1.03486e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.172742247967777 (2.65421e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1727422479677605 (9.5763e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.214395, 0.356057 elapsed time for k point: 0.011356353759765625 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1860989381524434 (1.56232% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1859976762889475 (0.0544277% change) linmin: converged after 15 iterations. iteration 3: trace = 0.1859938669738664 (0.00204807% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1859937714047326 (5.1383e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1859937688937453 (1.35004e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1859937688390204 (2.9423e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1859937688378915 (6.06912e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1859937688378514 (2.15934e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.223034, 0.36912 elapsed time for k point: 0.01143789291381836 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2043988572787781 (2.75517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2041523986067429 (0.12065% change) linmin: converged after 2 iterations. iteration 3: trace = 0.2041422878985797 (0.00495265% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2041420493962594 (0.000116831% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2041420414998279 (3.86811e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2041420413330259 (8.17088e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2041420413291276 (1.90959e-09% change) linmin: converged after 14 iterations. iteration 8: trace = 0.2041420413289724 (7.603e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.234535, 0.38618 elapsed time for k point: 0.01174473762512207 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2213300955570094 (4.3094% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2207839638738395 (0.247055% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2207589339831466 (0.0113375% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2207583808306992 (0.000250569% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2207583584069987 (1.01576e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.220758357912076 (2.24192e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2207583578975028 (6.60143e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2207583578967379 (3.4647e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2207583578967241 (6.2487e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.244797, 0.40104 elapsed time for k point: 0.012687921524047852 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2286358930851748 (5.87517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2277546866636133 (0.386163% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2277132378226157 (0.0182006% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2277123246168997 (0.000401034% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2277122854063269 (1.72193e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.227712284417164 (4.34392e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2277122843860134 (1.36798e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2277122843842667 (7.67046e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2277122843842428 (1.05068e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.249029, 0.407058 elapsed time for k point: 0.012764692306518555 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2240217978987304 (8.03377% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2227325966086011 (0.577141% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2221794028707296 (0.248676% change) large trace change predicted (1.12179%) linmin: converged after 5 iterations. iteration 4: trace = 0.2201021533223286 (0.939334% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2194887472932665 (0.27908% change) linmin: converged after 3 iterations. iteration 6: trace = 0.219464625857311 (0.0109904% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2194635570027367 (0.000487029% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2194633146452799 (0.000110432% change) large trace change predicted (0.00027517%) linmin: converged after 7 iterations. iteration 9: trace = 0.2194627106479069 (0.000275216% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2194625034252835 (9.44227e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2194624959688227 (3.3976e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2194624957143564 (1.1595e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2194624956685686 (2.08636e-08% change) large trace change predicted (5.35737e-08%) linmin: converged after 2 iterations. iteration 14: trace = 0.2194624955509941 (5.35739e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.2194624955026466 (2.20299e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2194624955005195 (9.69246e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.2194624955004417 (3.54624e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.239439, 0.402656 elapsed time for k point: 0.0229647159576416 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2048270491097949 (7.89384% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2042255888086184 (0.294075% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2042030572713609 (0.0110333% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2042021613101476 (0.000438761% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2042021401646437 (1.03552e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2042021396348915 (2.59425e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2042021396248772 (4.90411e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2042021396245604 (1.55141e-10% change) linmin: converged after 6 iterations. iteration 9: trace = 0.2042021396245494 (5.38251e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.206339, 0.402028 elapsed time for k point: 0.012723684310913086 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1961694955193466 (6.14128% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1959410036458177 (0.116545% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1959317156392236 (0.00474032% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1959313940592611 (0.000164129% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1959313856969013 (4.268e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1959313854375355 (1.32376e-07% change) linmin: converged after 15 iterations. iteration 7: trace = 0.1959313854311251 (3.27174e-09% change) linmin: converged after 7 iterations. iteration 8: trace = 0.1959313854307273 (2.03055e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1959313854307185 (4.50478e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.149555, 0.416611 elapsed time for k point: 0.012766361236572266 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.2014853855724108 (5.75945% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2008264904582409 (0.327554% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2007788953842623 (0.0237024% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2007749944565631 (0.00194292% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2007748543968734 (6.97596e-05% change) linmin: converged after 10 iterations. iteration 6: trace = 0.2007748486133252 (2.88061e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2007748484344857 (8.90747e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2007748484304172 (2.02644e-09% change) linmin: converged after 9 iterations. iteration 9: trace = 0.2007748484302037 (1.06322e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2007748484301813 (1.11562e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0779669, 0.441244 elapsed time for k point: 0.013987541198730469 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.212271872422257 (4.82659% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2094216112500304 (1.35182% change) linmin: converged after 4 iterations. iteration 3: trace = 0.209103051136514 (0.15223% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2090846371542951 (0.00880656% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2090836304333474 (0.000481491% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2090835247433783 (5.05491e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 0.209083513086021 (5.57545e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.20908351233741 (3.58044e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2090835122673799 (3.34939e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 0.2090835122583801 (4.30437e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2090835122572214 (5.54186e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 0.2090835122571492 (3.4528e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.457257 elapsed time for k point: 0.008757829666137695 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992222 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.35120083530511775 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897039 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.24902949992222) to band 2 (0.35120083530511775), 34.04404255716275% total elapsed time for run: 0.2350904941558838 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.347214, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.00377655029296875 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.4343181010737093 (198.885% change) linmin: converged after 11 iterations. iteration 2: trace = 0.1466798479702051 (99.0152% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1367387884268152 (7.01511% change) linmin: converged after 5 iterations. iteration 4: trace = 0.133607617422392 (2.31641% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1327039030623755 (0.67869% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326703124348135 (0.0253157% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1326539772352652 (0.0123134% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1326531685227361 (0.000609642% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1326529640371999 (0.000154151% change) linmin: converged after 3 iterations. iteration 10: trace = 0.1326529337762072 (2.28122e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 0.132652931151726 (1.97846e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 0.132652929789576 (1.02685e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.1326529296923194 (7.33166e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 0.1326529296662337 (1.96646e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 0.1326529296624067 (2.88499e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1326529296621591 (1.86637e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 0.132652929662027 (9.96375e-11% change) Finished solving for bands 2 to 2 after 17 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.364215 elapsed time for k point: 0.01233673095703125 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 13 iterations. iteration 1: trace = 0.1330276952346082 (5.99259% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1318813366941693 (0.865473% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1308680471589724 (0.771297% change) large trace change predicted (1.92882%) linmin: converged after 5 iterations. iteration 4: trace = 0.1283043069335504 (1.97841% change) linmin: converged after 7 iterations. iteration 5: trace = 0.1276263878910622 (0.529768% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1275322440296618 (0.0737924% change) linmin: converged after 5 iterations. iteration 7: trace = 0.1275021778544507 (0.0235781% change) linmin: converged after 5 iterations. iteration 8: trace = 0.1274414865508015 (0.0476115% change) linmin: converged after 5 iterations. iteration 9: trace = 0.127412030032453 (0.0231164% change) linmin: converged after 4 iterations. iteration 10: trace = 0.1274093849400023 (0.00207604% change) linmin: converged after 5 iterations. iteration 11: trace = 0.1274090082736761 (0.000295635% change) linmin: converged after 10 iterations. iteration 12: trace = 0.1274085198427885 (0.000383357% change) linmin: converged after 5 iterations. iteration 13: trace = 0.127408062842979 (0.000358689% change) linmin: converged after 5 iterations. iteration 14: trace = 0.1274079792683151 (6.55961e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 0.127407972649646 (5.19486e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 0.1274079698066793 (2.23139e-06% change) linmin: converged after 9 iterations. iteration 17: trace = 0.1274079642225711 (4.38286e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 0.1274079624507184 (1.39069e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 0.1274079623180446 (1.04133e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 0.1274079622925275 (2.00279e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 0.1274079622440893 (3.80181e-08% change) linmin: converged after 11 iterations. iteration 22: trace = 0.127407962215568 (2.23858e-08% change) linmin: converged after 6 iterations. iteration 23: trace = 0.1274079622132383 (1.82859e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 0.1274079622129693 (2.11117e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 0.1274079622125851 (3.01523e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 0.1274079622122128 (2.92221e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 0.1274079622121579 (4.30903e-11% change) Finished solving for bands 1 to 2 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0438278, 0.354242 elapsed time for k point: 0.03600740432739258 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1175895698993066 (8.46358% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1169854373382667 (0.515087% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1169634629343672 (0.0187856% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1169624287919834 (0.000884162% change) linmin: converged after 23 iterations. iteration 5: trace = 0.1169623892439102 (3.38126e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.116962387010874 (1.90919e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.116962386932488 (6.70181e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1169623869302096 (1.94801e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1169623869301468 (5.36899e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.086595, 0.330853 elapsed time for k point: 0.012746810913085938 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.107661718133098 (7.39497% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1074867217773469 (0.162675% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1074797532363016 (0.00648337% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1074794560989981 (0.000276459% change) linmin: converged after 2 iterations. iteration 5: trace = 0.107479449202565 (6.41651e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1074794489996316 (1.88811e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1074794489927402 (6.41182e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1074794489925578 (1.69742e-10% change) linmin: converged after 5 iterations. iteration 9: trace = 0.1074794489925548 (2.80191e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.126861, 0.302301 elapsed time for k point: 0.01271963119506836 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1014137083501627 (7.0899% change) linmin: converged after 3 iterations. iteration 2: trace = 0.1013434149944228 (0.0693375% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1013402349806176 (0.00313791% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1013401302210901 (0.000103374% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1013401281880725 (2.00613e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.101340128149123 (3.84344e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1013401281478894 (1.21724e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1013401281478577 (3.13051e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.161288, 0.274456 elapsed time for k point: 0.011422395706176758 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.09929517146312497 (6.9708% change) linmin: converged after 3 iterations. iteration 2: trace = 0.0992475255606603 (0.0479956% change) linmin: converged after 4 iterations. iteration 3: trace = 0.09924547743477756 (0.00206368% change) linmin: converged after 2 iterations. iteration 4: trace = 0.09924540340840854 (7.45892e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.09924540237232149 (1.04396e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.09924540235031679 (2.2172e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.09924540234966148 (6.60292e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.099245402349651 (1.05574e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.177897, 0.259996 elapsed time for k point: 0.011364221572875977 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1023748756355369 (0.938618% change) linmin: converged after 4 iterations. iteration 2: trace = 0.10234483009841 (0.0293529% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1023441319883404 (0.000682118% change) linmin: converged after 18 iterations. iteration 4: trace = 0.102344111854088 (1.96731e-05% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1023441112170788 (6.22419e-07% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1023441112108161 (6.1193e-09% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1023441112106438 (1.68319e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1023441112106413 (2.45435e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.18095, 0.263821 elapsed time for k point: 0.011499404907226562 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1111648725369558 (1.70677% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1111022041294546 (0.0563902% change) linmin: converged after 4 iterations. iteration 3: trace = 0.111100542881741 (0.00149525% change) linmin: converged after 7 iterations. iteration 4: trace = 0.1111004887965007 (4.86814e-05% change) linmin: converged after 9 iterations. iteration 5: trace = 0.1111004875283868 (1.14141e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1111004875048888 (2.11502e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1111004875044871 (3.61595e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1111004875044771 (8.99367e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.189456, 0.274239 elapsed time for k point: 0.011374235153198242 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1238434803056937 (3.06251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1236602488077913 (0.148064% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1236554311291922 (0.00389598% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1236552618867514 (0.000136866% change) linmin: converged after 7 iterations. iteration 5: trace = 0.1236552585512284 (2.69744e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1236552584722956 (6.3833e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1236552584710226 (1.02948e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1236552584709829 (3.20752e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.201452, 0.288223 elapsed time for k point: 0.01137995719909668 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.1365861283694171 (4.90629% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1360353991956019 (0.404025% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1360216616314292 (0.010099% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1360211293759799 (0.000391303% change) linmin: converged after 7 iterations. iteration 5: trace = 0.136021117748354 (8.5484e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1360211172989075 (3.30424e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1360211172754744 (1.72275e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1360211172747934 (5.00686e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1360211172747793 (1.03455e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.213244, 0.300912 elapsed time for k point: 0.012711763381958008 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1427907515851881 (7.20068% change) linmin: converged after 5 iterations. iteration 2: trace = 0.141612958861777 (0.828254% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1415842924679494 (0.0202448% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1415827791943138 (0.00106882% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1415827277312479 (3.63484e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1415827249602424 (1.95716e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1415827248205368 (9.86742e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1415827248187982 (1.22794e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1415827248187514 (3.30912e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.218623, 0.306246 elapsed time for k point: 0.012897253036499023 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.139128512598051 (10.1029% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1378170044816252 (0.947124% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1377216292272727 (0.0692282% change) large trace change predicted (0.351976%) linmin: converged after 6 iterations. iteration 4: trace = 0.1372856158281963 (0.317092% change) linmin: converged after 6 iterations. iteration 5: trace = 0.1366576168038857 (0.458488% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1366119030153258 (0.0334569% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1366103217876671 (0.00115747% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1366097453256684 (0.000421976% change) large trace change predicted (0.0013334%) linmin: converged after 4 iterations. iteration 9: trace = 0.1366079217893783 (0.00133486% change) linmin: converged after 4 iterations. iteration 10: trace = 0.1366070298222957 (0.000652942% change) linmin: converged after 4 iterations. iteration 11: trace = 0.1366069869567787 (3.13787e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.13660698538731 (1.14889e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.1366069843524139 (7.57572e-07% change) large trace change predicted (2.51117e-06%) linmin: converged after 4 iterations. iteration 14: trace = 0.1366069809219638 (2.51118e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1366069801728978 (5.48337e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1366069801486565 (1.77453e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 0.1366069801469441 (1.25351e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 0.1366069801444114 (1.854e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 0.1366069801394007 (3.66794e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 0.1366069801387251 (4.94577e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 0.1366069801387 (1.83876e-11% change) Finished solving for bands 1 to 2 after 21 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.206544, 0.306507 elapsed time for k point: 0.028117656707763672 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1288477330212029 (10.0415% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1283196778719536 (0.41067% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1283049547472065 (0.0114744% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1283044898205979 (0.000362361% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1283044779202521 (9.27508e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1283044775632081 (2.78279e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1283044775566783 (5.0893e-09% change) linmin: converged after 5 iterations. iteration 8: trace = 0.128304477556404 (2.1386e-10% change) linmin: converged after 5 iterations. iteration 9: trace = 0.1283044775563504 (4.17076e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.171233, 0.314617 elapsed time for k point: 0.01271963119506836 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1253721759990568 (8.44741% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1250731667431224 (0.238782% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1250655728028862 (0.00607178% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1250652918569694 (0.000224639% change) linmin: converged after 4 iterations. iteration 5: trace = 0.125065286813738 (4.03248e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1250652866511765 (1.29981e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1250652866473551 (3.05554e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1250652866471705 (1.47627e-10% change) linmin: converged after 7 iterations. iteration 9: trace = 0.1250652866471592 (9.0103e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.120346, 0.332539 elapsed time for k point: 0.012738466262817383 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1294353344754111 (8.78986% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1287958675499591 (0.495267% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1287444978499471 (0.0398925% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1287432352198244 (0.00098073% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1287431529997965 (6.38636e-05% change) linmin: converged after 5 iterations. iteration 6: trace = 0.1287431505713931 (1.88624e-06% change) linmin: converged after 17 iterations. iteration 7: trace = 0.128743150465753 (8.20549e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1287431504623988 (2.60535e-09% change) linmin: converged after 7 iterations. iteration 9: trace = 0.1287431504622698 (1.00184e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.1287431504622529 (1.30862e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456 elapsed time for k point: 0.01402425765991211 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1366524528138638 (4.3465% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1330957022297225 (2.63709% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1326683867051782 (0.321575% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1326585108557059 (0.00744429% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1326532168394093 (0.00399079% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326529644658379 (0.000190251% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1326529514654886 (9.80027e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1326529455151905 (4.48561e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 0.132652945276194 (1.80167e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 0.1326529452645753 (8.75875e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 0.1326529452609717 (2.71651e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 0.1326529452608376 (1.01144e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 0.1326529452607796 (4.36672e-11% change) Finished solving for bands 2 to 2 after 13 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.364216 elapsed time for k point: 0.009415388107299805 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21862256910517527 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.25999614437474894 at Vector3<0.5, 0.0, 0.0> to 0.36421552034582455 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.21862256910517527) to band 2 (0.25999614437474894), 17.288741164655313% total elapsed time for run: 0.23799943923950195 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.194427, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0028159618377685547 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 0.6549253906200139 (198.431% change) linmin: converged after 7 iterations. iteration 2: trace = 0.3091275545744971 (71.7383% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3021663145641903 (2.27754% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3010091523576723 (0.38369% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2989636350397318 (0.68187% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2983048314779295 (0.220606% change) linmin: converged after 3 iterations. iteration 7: trace = 0.298258806017678 (0.0154302% change) linmin: converged after 3 iterations. iteration 8: trace = 0.298256042683861 (0.000926493% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2982542423263997 (0.00060363% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2982522951543166 (0.000652859% change) linmin: converged after 3 iterations. iteration 11: trace = 0.2982519775108617 (0.000106502% change) linmin: converged after 5 iterations. iteration 12: trace = 0.2982519598579505 (5.91879e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 0.2982519583456509 (5.07054e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 0.2982519560571798 (7.67295e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 0.298251955198103 (2.88037e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 0.2982519551550096 (1.44486e-08% change) linmin: converged after 15 iterations. iteration 17: trace = 0.2982519551524457 (8.59659e-10% change) linmin: converged after 12 iterations. iteration 18: trace = 0.2982519551507776 (5.59277e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 0.298251955149158 (5.43029e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 0.298251955149003 (5.19652e-11% change) Finished solving for bands 2 to 2 after 20 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546124 elapsed time for k point: 0.014379262924194336 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2966250315372463 (4.81134% change) linmin: converged after 6 iterations. iteration 2: trace = 0.2810412199538996 (5.39544% change) linmin: converged after 7 iterations. iteration 3: trace = 0.2797075559501509 (0.475673% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2796368858698792 (0.0252689% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2796049788794028 (0.0114108% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2795924192280583 (0.00449203% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2795912768510206 (0.000408587% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2795911968916867 (2.85987e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2795911512747946 (1.63156e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2795911392192914 (4.31183e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2795911380567475 (4.15801e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 0.2795911379221782 (4.81307e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 0.2795911378697258 (1.87604e-08% change) linmin: converged after 28 iterations. iteration 14: trace = 0.2795911378501723 (6.99363e-09% change) linmin: converged after 6 iterations. iteration 15: trace = 0.2795911378480383 (7.63243e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 0.2795911378478665 (6.14295e-11% change) Finished solving for bands 1 to 2 after 16 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0654224, 0.524701 elapsed time for k point: 0.021811723709106445 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2622850419916516 (3.26212% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2613364588442167 (0.362316% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2611888623243501 (0.0564935% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2611845433419112 (0.0016536% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2611842511623714 (0.000111867% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2611842413682736 (3.74988e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2611842409879023 (1.45633e-07% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2611842409520096 (1.37423e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2611842409471599 (1.85682e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2611842409470012 (6.07854e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.128149, 0.494734 elapsed time for k point: 0.013984918594360352 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2495890152828733 (3.71776% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2491349626349514 (0.182086% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2491001185963266 (0.013987% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2490994092373554 (0.000284769% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2490993783901631 (1.23835e-05% change) linmin: converged after 6 iterations. iteration 6: trace = 0.2490993774714977 (3.68795e-07% change) linmin: converged after 16 iterations. iteration 7: trace = 0.2490993774413394 (1.2107e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2490993774400479 (5.18477e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2490993774400129 (1.40505e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184564, 0.463719 elapsed time for k point: 0.012794971466064453 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2427649179615225 (4.12003% change) linmin: converged after 4 iterations. iteration 2: trace = 0.242459580028427 (0.125854% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2424461076700272 (0.00555669% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2424457235513501 (0.000158435% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2424457147102562 (3.64663e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2424457144963569 (8.82257e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2424457144901444 (2.5624e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2424457144899841 (6.61475e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.228088, 0.436373 elapsed time for k point: 0.01137089729309082 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2406037838644205 (4.34726% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2403528913600188 (0.104331% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2403446058300931 (0.00344729% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2403442785818101 (0.000136158% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2403442726085168 (2.48531e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2403442724382667 (7.08359e-08% change) linmin: converged after 11 iterations. iteration 7: trace = 0.2403442724330168 (2.18435e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2403442724329477 (2.87321e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245908, 0.424115 elapsed time for k point: 0.011438131332397461 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2478650541659824 (0.665976% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2478153067195069 (0.0200724% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2478136011813217 (0.000688232% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2478135705407399 (1.23644e-05% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2478135698495605 (2.78911e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2478135698281646 (8.63386e-09% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2478135698278284 (1.35668e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2478135698278215 (2.78885e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249363, 0.43085 elapsed time for k point: 0.011404752731323242 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2689523558126674 (1.15158% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2687965094237149 (0.0579625% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2687923010456911 (0.00156565% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2687921865479115 (4.25971e-05% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2687921840676181 (9.22755e-07% change) linmin: converged after 20 iterations. iteration 6: trace = 0.2687921840087601 (2.18972e-08% change) linmin: converged after 6 iterations. iteration 7: trace = 0.2687921840070874 (6.22288e-10% change) linmin: converged after 4 iterations. iteration 8: trace = 0.268792184007047 (1.50554e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258652, 0.449323 elapsed time for k point: 0.01152801513671875 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2988641621313891 (2.11503% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2984227993488108 (0.147789% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2984110530872356 (0.00393619% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2984106728909143 (0.000127407% change) linmin: converged after 8 iterations. iteration 5: trace = 0.2984106621553146 (3.59759e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2984106619110478 (8.18559e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.298410661903838 (2.41608e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2984106619036124 (7.5581e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270746, 0.474454 elapsed time for k point: 0.011417150497436523 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3278879623914516 (3.57107% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3268031317976849 (0.331402% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3267703883056819 (0.0100198% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3267691490121234 (0.000379256% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3267691042855297 (1.36875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3267691033363583 (2.90472e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3267691033112132 (7.69507e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3267691033102654 (2.90051e-10% change) linmin: converged after 18 iterations. iteration 9: trace = 0.3267691033102512 (4.33191e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281204, 0.497688 elapsed time for k point: 0.012734651565551758 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3410949974631008 (5.35228% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3391984614179795 (0.557564% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3391366043905774 (0.0182379% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3391342077573696 (0.000706689% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3391341108700708 (2.8569e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3391341089176964 (5.75694e-07% change) linmin: converged after 24 iterations. iteration 7: trace = 0.3391341088659965 (1.52447e-08% change) linmin: converged after 7 iterations. iteration 8: trace = 0.339134108863467 (7.4588e-10% change) linmin: converged after 5 iterations. iteration 9: trace = 0.339134108863369 (2.8874e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285404, 0.507621 elapsed time for k point: 0.012753009796142578 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3320175035444049 (7.19666% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3288522176426151 (0.957915% change) linmin: converged after 5 iterations. iteration 3: trace = 0.3263796244791076 (0.754723% change) linmin: converged after 6 iterations. iteration 4: trace = 0.3219901164799821 (1.35401% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3215485300393168 (0.137237% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3215259880095882 (0.00701071% change) linmin: converged after 5 iterations. iteration 7: trace = 0.3215240569133011 (0.000600605% change) linmin: converged after 5 iterations. iteration 8: trace = 0.3215211961989129 (0.00088974% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3215198890578118 (0.00040655% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3215197879153998 (3.14576e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.3215197847617491 (9.80857e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 0.3215197841679531 (1.84684e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.3215197830625632 (3.43801e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 0.3215197827855527 (8.61566e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 0.3215197827696916 (4.93316e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 0.3215197827690937 (1.85964e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.3215197827688702 (6.95271e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.275795, 0.495436 elapsed time for k point: 0.02295851707458496 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2914724979423135 (6.31106% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2901669297397641 (0.448927% change) linmin: converged after 4 iterations. iteration 3: trace = 0.290122893689505 (0.0151773% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2901214428380556 (0.000500083% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2901214024217765 (1.39308e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2901214014190727 (3.45615e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2901214013741387 (1.5488e-08% change) linmin: converged after 7 iterations. iteration 8: trace = 0.2901214013724248 (5.90755e-10% change) linmin: converged after 6 iterations. iteration 9: trace = 0.2901214013723648 (2.06645e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240471, 0.48197 elapsed time for k point: 0.012683868408203125 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.271493896277822 (4.17227% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2709002793369417 (0.218888% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2708628403276487 (0.0138212% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2708607902378601 (0.000756877% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2708607279884344 (2.29821e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2708607259652259 (7.46955e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.270860725890675 (2.75237e-08% change) linmin: converged after 16 iterations. iteration 8: trace = 0.2708607258855509 (1.89179e-09% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2708607258851881 (1.33951e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 0.2708607258851709 (6.33275e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.175771, 0.489863 elapsed time for k point: 0.01403665542602539 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2757278837077469 (3.37811% change) linmin: converged after 5 iterations. iteration 2: trace = 0.275229437412213 (0.180938% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2751077523722809 (0.044222% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2750947620429818 (0.00472202% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2750943791629712 (0.000139181% change) linmin: converged after 29 iterations. iteration 6: trace = 0.2750943682465172 (3.96826e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2750943677818923 (1.68897e-07% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2750943677030431 (2.86626e-08% change) linmin: converged after 13 iterations. iteration 9: trace = 0.2750943676888267 (5.16783e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2750943676881252 (2.55022e-10% change) linmin: converged after 5 iterations. iteration 11: trace = 0.2750943676881141 (4.03579e-12% change) Finished solving for bands 1 to 2 after 11 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0919053, 0.51638 elapsed time for k point: 0.015377283096313477 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.306350718499671 (2.00508% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3031319400186723 (1.05623% change) linmin: converged after 7 iterations. iteration 3: trace = 0.2988994850147906 (1.40606% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2982983429994937 (0.201321% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2982585418700314 (0.0133436% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2982566127546517 (0.000646795% change) linmin: converged after 6 iterations. iteration 7: trace = 0.2982536607023329 (0.000989774% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2982520309343739 (0.000546438% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2982519600533226 (2.37655e-05% change) linmin: converged after 8 iterations. iteration 10: trace = 0.2982519569354738 (1.04537e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 0.2982519563685658 (1.90077e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 0.2982519553645565 (3.36631e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 0.2982519551600131 (6.85807e-08% change) linmin: converged after 22 iterations. iteration 14: trace = 0.29825195514997 (3.36729e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 0.2982519551494989 (1.5798e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.298251955149223 (9.25025e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546124 elapsed time for k point: 0.011468887329101562 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856945 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4241150516194382 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610307 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28540381057856945) to band 2 (0.4241150516194382), 39.10008554562096% total elapsed time for run: 0.22568511962890625 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.161094, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.002863645553588867 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.8865138653874602 (197.906% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3200046970003627 (93.9081% change) linmin: converged after 6 iterations. iteration 3: trace = 0.3068086580978369 (4.21052% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3030326413122448 (1.23836% change) linmin: converged after 3 iterations. iteration 5: trace = 0.3026141893486449 (0.138183% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3025973435560047 (0.00556691% change) linmin: converged after 5 iterations. iteration 7: trace = 0.3025960087856284 (0.000441105% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3025957149074369 (9.7119e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3025956971360175 (5.87299e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 0.3025956960690349 (3.5261e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 0.3025956959599987 (3.60336e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3025956959421133 (5.91068e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 0.3025956959407097 (4.63853e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 0.3025956959406486 (2.01795e-11% change) Finished solving for bands 2 to 2 after 14 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550087 elapsed time for k point: 0.010328054428100586 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3046948505447678 (3.77829% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3012169493975247 (1.14799% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3009374600602787 (0.0928298% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3009299252030405 (0.00250383% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3009297396741477 (6.16519e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3009297211602799 (6.15222e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3009297179658463 (1.06152e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3009297177077822 (8.57556e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3009297177020477 (1.90557e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 0.300929717701831 (7.20153e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0721945, 0.543799 elapsed time for k point: 0.014032125473022461 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2993772621931764 (4.06065% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2971754981861193 (0.738162% change) linmin: converged after 4 iterations. iteration 3: trace = 0.296964775850513 (0.0709335% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2969599541881608 (0.00162366% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2969598407822384 (3.8189e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2969598364647941 (1.45388e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2969598362065996 (8.69459e-08% change) linmin: converged after 18 iterations. iteration 8: trace = 0.2969598361844065 (7.47343e-09% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2969598361819389 (8.30948e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2969598361818409 (3.30121e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.141724, 0.526188 elapsed time for k point: 0.01404714584350586 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2938435215784779 (4.30612% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2927441839095658 (0.374825% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2926467105733514 (0.033302% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2926449733559744 (0.000593624% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2926449193563002 (1.84523e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2926449176893384 (5.69619e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2926449175856868 (3.54189e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2926449175810249 (1.59304e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2926449175807113 (1.07155e-10% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2926449175806999 (3.90757e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.204809, 0.500698 elapsed time for k point: 0.013957500457763672 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2901150873109281 (4.44251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2895449449297258 (0.196716% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2895150953299019 (0.0103097% change) linmin: converged after 8 iterations. iteration 4: trace = 0.2895144114344815 (0.000236221% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2895143963165014 (5.22184e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2895143959258288 (1.34941e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2895143959126517 (4.55144e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2895143959121468 (1.74406e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2895143959121314 (5.33034e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.254113, 0.474279 elapsed time for k point: 0.012764930725097656 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2888034002621678 (4.49556% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2883971863650512 (0.140753% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2883890967942881 (0.00280505% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2883886834700363 (0.000143322% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2883886769569959 (2.25842e-06% change) linmin: converged after 10 iterations. iteration 6: trace = 0.2883886767783876 (6.19332e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2883886767738496 (1.5736e-09% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2883886767737716 (2.70252e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.274582, 0.461512 elapsed time for k point: 0.01139974594116211 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2982501673194342 (0.506108% change) linmin: converged after 3 iterations. iteration 2: trace = 0.2982104738003745 (0.0133097% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2982086460163034 (0.000612919% change) linmin: converged after 23 iterations. iteration 4: trace = 0.2982086207857152 (8.46072e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2982086197260261 (3.55352e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.298208619695097 (1.03716e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2982086196943676 (2.44618e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2982086196943483 (6.47798e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.278369, 0.469808 elapsed time for k point: 0.011441707611083984 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3266367774016528 (0.830279% change) linmin: converged after 3 iterations. iteration 2: trace = 0.3265044430836117 (0.0405224% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3264980604168626 (0.00195487% change) linmin: converged after 5 iterations. iteration 4: trace = 0.326497926658615 (4.09676e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3264979229973252 (1.12138e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3264979228246051 (5.29008e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.3264979228224314 (6.65764e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3264979228223412 (2.76112e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.288519, 0.493208 elapsed time for k point: 0.011404037475585938 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.3695365223763999 (1.48558% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3690894962296902 (0.121043% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3690670482003573 (0.00608219% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3690664377461912 (0.000165405% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3690664179900565 (5.353e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3690664173327331 (1.78104e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3690664173183381 (3.90038e-09% change) linmin: converged after 7 iterations. iteration 8: trace = 0.3690664173180312 (8.31615e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.301662, 0.52732 elapsed time for k point: 0.011438846588134766 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.4173499292601686 (2.62841% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4156434788169407 (0.409715% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4155485977073965 (0.0228301% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4155449430743091 (0.000879476% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4155448032643569 (3.3645e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.4155448000759098 (7.67293e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.415544799942528 (3.20981e-08% change) linmin: converged after 17 iterations. iteration 8: trace = 0.4155447999216217 (5.03105e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.4155447999210295 (1.42523e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.4155447999210036 (6.23849e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.312941, 0.563571 elapsed time for k point: 0.014001607894897461 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.4460423269352874 (5.07015% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4401376357000959 (1.33262% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4398345567490909 (0.0688838% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4398187039759408 (0.00360432% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4398182310628914 (0.000107525% change) linmin: converged after 2 iterations. iteration 6: trace = 0.4398182203781184 (2.42936e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.4398182200041563 (8.50265e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.4398182199097657 (2.14613e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 0.4398182199058908 (8.81023e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.4398182199057516 (3.16418e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.317444, 0.582278 elapsed time for k point: 0.014011383056640625 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.4254304940104453 (7.90763% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4154061158898753 (2.38438% change) linmin: converged after 5 iterations. iteration 3: trace = 0.4086474339536447 (1.64035% change) linmin: converged after 13 iterations. iteration 4: trace = 0.4030720876492526 (1.37371% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4025050595498404 (0.140776% change) linmin: converged after 4 iterations. iteration 6: trace = 0.4024773504486799 (0.0068844% change) linmin: converged after 4 iterations. iteration 7: trace = 0.4024758244080944 (0.000379163% change) linmin: converged after 5 iterations. iteration 8: trace = 0.4024756354888855 (4.69393e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 0.4024755044225242 (3.2565e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 0.4024754425634786 (1.53696e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 0.4024754386798506 (9.64935e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 0.4024754384625252 (5.39972e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 0.4024754384481775 (3.56487e-09% change) linmin: converged after 6 iterations. iteration 14: trace = 0.4024754384464015 (4.41247e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 0.402475438445295 (2.74938e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 0.4024754384447269 (1.41152e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 0.4024754384446901 (9.14438e-12% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.307036, 0.555161 elapsed time for k point: 0.023000001907348633 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.3494947013271062 (5.04145% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3477682141916962 (0.495218% change) linmin: converged after 4 iterations. iteration 3: trace = 0.347695147426537 (0.0210124% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3476919810771721 (0.000910672% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3476919224042098 (1.6875e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3476919188690356 (1.01675e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3476919187143099 (4.45008e-08% change) linmin: converged after 15 iterations. iteration 8: trace = 0.3476919187046032 (2.79176e-09% change) linmin: converged after 15 iterations. iteration 9: trace = 0.3476919187043966 (5.9424e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.267668, 0.5254 elapsed time for k point: 0.012741565704345703 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3136744626788047 (3.55049% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3125395680681953 (0.362462% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3124731771050028 (0.0212447% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3124702465943583 (0.000937848% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3124701893749386 (1.8312e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3124701860944267 (1.04986e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3124701859365775 (5.05166e-08% change) linmin: converged after 21 iterations. iteration 8: trace = 0.3124701859237753 (4.09711e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3124701859233399 (1.39333e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.3124701859233179 (7.05281e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.194886, 0.523918 elapsed time for k point: 0.01402902603149414 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3038101253173421 (3.91494% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3016593346553399 (0.710454% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3014471622741595 (0.0703598% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3014388140917267 (0.00276941% change) linmin: converged after 9 iterations. iteration 5: trace = 0.3014386435309355 (5.65822e-05% change) linmin: converged after 30 iterations. iteration 6: trace = 0.3014386380615982 (1.81441e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3014386378123759 (8.26776e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3014386377980782 (4.74316e-09% change) linmin: converged after 8 iterations. iteration 9: trace = 0.3014386377957535 (7.71182e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.3014386377955974 (5.18025e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.101494, 0.539572 elapsed time for k point: 0.014173030853271484 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3082775823540503 (5.57215% change) linmin: converged after 7 iterations. iteration 2: trace = 0.303107612043836 (1.69123% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3026170118069739 (0.161988% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3025983731804382 (0.00615934% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3025961722516344 (0.000727346% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3025957192638613 (0.000149701% change) linmin: converged after 2 iterations. iteration 7: trace = 0.302595697567888 (7.16995e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3025956961202268 (4.78414e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 0.3025956959692816 (4.98835e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3025956959418701 (9.05879e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 0.3025956959407161 (3.81374e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 0.302595695940654 (2.05097e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550087 .elapsed time for k point: 0.008763551712036133 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232144 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.46151218989969167 at Vector3<0.5, 0.0, 0.0> to 0.582277810581928 at Vector3<0.5, 0.5, 0.0> Gap from band 1 (0.31744412297232144) to band 2 (0.46151218989969167), 36.99002486960816% total elapsed time for run: 0.21512103080749512 done /tmp/meepW1wGQn/test_maximize_first_tm_gap-0: 0.92s /tmp/meepW1wGQn/test_multiply_bloch_in_mpb_data-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0046999454498291016 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.35675668716430664 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.0278816223144531 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.2250502109527588 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20885205268859863 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.2416999340057373 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3766143321990967 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.284482479095459 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.24196243286132812 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.20844388008117676 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.1995694637298584 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.19932866096496582 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.15733075141906738 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.18364405632019043 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.25062131881713867 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2927067279815674 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.629647970199585 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.090556383132935 done Fixing e-field (band 8) phase by 2.64645e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 imag part range: -0.00870098 .. 0.00766384 real part range: -1.10099 .. 1.10099 imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004428386688232422 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.35483503341674805 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.0283770561218262 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.22539162635803223 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20897817611694336 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.24166131019592285 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.37671470642089844 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.28471970558166504 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.24220490455627441 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.20870327949523926 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.19980263710021973 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.19942569732666016 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.15767550468444824 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.1828773021697998 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.25041913986206055 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.29372668266296387 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6299769878387451 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.091269016265869 done Fixing e-field (band 8) phase by 2.64645e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 imag part range: -0.00870098 .. 0.00766384 real part range: -1.10099 .. 1.10099 imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 ./tmp/meepW1wGQn/test_multiply_bloch_in_mpb_data-0: 10.35s /tmp/meepW1wGQn/test_multiply_bloch_phase-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0047512054443359375 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3602170944213867 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.0288877487182617 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.22515654563903809 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20902323722839355 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.24178361892700195 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3769199848175049 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.28470396995544434 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.24202966690063477 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.20879554748535156 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.19996976852416992 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.19946980476379395 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.15772271156311035 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.18307161331176758 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.2506992816925049 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.29328489303588867 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6350417137145996 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.102896451950073 done Fixing e-field (band 8) phase by 2.64645e-07 + 1i; max ampl. = 1.10099 ./tmp/meepW1wGQn/test_multiply_bloch_phase-0: 5.11s /tmp/meepW1wGQn/test_output_charge_density-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.00475311279296875 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3588905334472656 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.0304477214813232 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.22561216354370117 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20937299728393555 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.24221372604370117 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.37738609313964844 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.28508496284484863 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.24245429039001465 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.20921063423156738 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.20089483261108398 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.19961857795715332 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.15774250030517578 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.1832103729248047 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.25114941596984863 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.29383111000061035 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6328184604644775 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.106010675430298 done Fixing e-field (band 8) phase by 2.64645e-07 + 1i; max ampl. = 1.10099 .Outputting complex scalar field to /tmp/meepW1wGQn/test_output_charge_density-0-C.k16.b08.te.h5... /tmp/meepW1wGQn/test_output_charge_density-0: 5.12s /tmp/meepW1wGQn/test_output_dpwr_in_objects-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004796504974365234 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.35821080207824707 D-energy-components:, 1, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 1, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320102551, 0.8567435000049207 Outputting fields to /tmp/meepW1wGQn/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... D-energy-components:, 1, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069427, 0.528826055797779 D-energy-components:, 1, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.7732298839480425, 0.5288079654920126 D-energy-components:, 1, 5, 0.5, 0.5, 0 dpwr:, 5, 0.922996519585446, 0.08910010798055444 D-energy-components:, 1, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.000171117688413, 0.4012464930178617 D-energy-components:, 1, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.000172003225878, 0.401251991057022 D-energy-components:, 1, 8, 0.499992, 0.500008, 0 dpwr:, 8, 1.09282093174763, 0.2872056682650951 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.0265319347381592 D-energy-components:, 2, 1, 0.0311142, 0.968886, 0 dpwr:, 1, 0.08973322605272634, 0.046031769061792675 D-energy-components:, 2, 2, 0.488088, 0.511912, 0 dpwr:, 2, 0.5511376869744277, 0.8445541870990088 D-energy-components:, 2, 3, 0.219526, 0.780474, 0 dpwr:, 3, 0.7615997355586406, 0.44273961201811274 D-energy-components:, 2, 4, 0.779994, 0.220006, 0 dpwr:, 4, 0.7746821846144926, 0.5367491124120539 D-energy-components:, 2, 5, 0.333449, 0.666551, 0 dpwr:, 5, 0.9071987086409551, 0.31201819816155324 D-energy-components:, 2, 6, 0.881419, 0.118581, 0 dpwr:, 6, 1.0018779529402249, 0.3891333928002539 D-energy-components:, 2, 7, 0.392233, 0.607767, 0 dpwr:, 7, 1.0035701586968437, 0.27762088311632316 D-energy-components:, 2, 8, 0.507954, 0.492046, 0 dpwr:, 8, 1.1020906511633535, 0.6676492388237035 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.22524762153625488 D-energy-components:, 3, 1, 0.0363561, 0.963644, 0 dpwr:, 1, 0.1786920044640273, 0.054422072638592486 D-energy-components:, 3, 2, 0.446363, 0.553637, 0 dpwr:, 2, 0.5448958802776004, 0.7942737936887362 D-energy-components:, 3, 3, 0.23103, 0.76897, 0 dpwr:, 3, 0.7285335884676524, 0.3007717411397496 D-energy-components:, 3, 4, 0.758854, 0.241146, 0 dpwr:, 4, 0.7785279987553564, 0.5586605740277624 D-energy-components:, 3, 5, 0.240477, 0.759523, 0 dpwr:, 5, 0.8802435456076886, 0.5941655354376006 D-energy-components:, 3, 6, 0.863785, 0.136215, 0 dpwr:, 6, 1.0069870419364988, 0.3547233907517723 D-energy-components:, 3, 7, 0.585239, 0.414761, 0 dpwr:, 7, 1.0169614533587052, 0.21322445871378226 D-energy-components:, 3, 8, 0.535346, 0.464654, 0 dpwr:, 8, 1.100274220034328, 0.6232654986007107 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20870113372802734 D-energy-components:, 4, 1, 0.0468976, 0.953102, 0 dpwr:, 1, 0.26579760671574715, 0.0718902113085909 D-energy-components:, 4, 2, 0.35602, 0.64398, 0 dpwr:, 2, 0.5281755808897284, 0.6596795148976126 D-energy-components:, 4, 3, 0.27068, 0.72932, 0 dpwr:, 3, 0.6854491685263082, 0.3005421252935331 D-energy-components:, 4, 4, 0.732284, 0.267716, 0 dpwr:, 4, 0.783377431811594, 0.5880663066327251 D-energy-components:, 4, 5, 0.261431, 0.738569, 0 dpwr:, 5, 0.8607144514828637, 0.7295588531259445 D-energy-components:, 4, 6, 0.829353, 0.170647, 0 dpwr:, 6, 1.0151520304252977, 0.3055409976871848 D-energy-components:, 4, 7, 0.603026, 0.396974, 0 dpwr:, 7, 1.0384314734879119, 0.24673894403722532 D-energy-components:, 4, 8, 0.592482, 0.407518, 0 dpwr:, 8, 1.0966392149656115, 0.5396650770182826 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.2413923740386963 D-energy-components:, 5, 1, 0.0662302, 0.93377, 0 dpwr:, 1, 0.348955949924525, 0.10384524472355158 D-energy-components:, 5, 2, 0.226367, 0.773633, 0 dpwr:, 2, 0.49073844761783286, 0.43567395440946527 D-energy-components:, 5, 3, 0.351613, 0.648387, 0 dpwr:, 3, 0.6527974478809142, 0.44814251234966007 D-energy-components:, 5, 4, 0.710454, 0.289546, 0 dpwr:, 4, 0.7873816318426067, 0.6139011766774605 D-energy-components:, 5, 5, 0.295332, 0.704668, 0 dpwr:, 5, 0.8499993146942654, 0.7699338908249702 D-energy-components:, 5, 6, 0.77736, 0.22264, 0 dpwr:, 6, 1.0244294608784887, 0.2578911955092005 D-energy-components:, 5, 7, 0.546257, 0.453743, 0 dpwr:, 7, 1.064407666628534, 0.33221314076080205 D-energy-components:, 5, 8, 0.681176, 0.318824, 0 dpwr:, 8, 1.0912080621155025, 0.43293174041577676 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.37595462799072266 D-energy-components:, 6, 1, 0.0773009, 0.922699, 0 dpwr:, 1, 0.41279067126545327, 0.08603996686356383 D-energy-components:, 6, 2, 0.165167, 0.834833, 0 dpwr:, 2, 0.4415884497225441, 0.35844847665063867 D-energy-components:, 6, 3, 0.391615, 0.608385, 0 dpwr:, 3, 0.6419977365450048, 0.5328472337366219 D-energy-components:, 6, 4, 0.702039, 0.297961, 0 dpwr:, 4, 0.7889329895481024, 0.6242704622235294 D-energy-components:, 6, 5, 0.308697, 0.691303, 0 dpwr:, 5, 0.8465878695825259, 0.7771267587702403 D-energy-components:, 6, 6, 0.742736, 0.257264, 0 dpwr:, 6, 1.0291597050650199, 0.23681211444861006 D-energy-components:, 6, 7, 0.350801, 0.649199, 0 dpwr:, 7, 1.0860729323594138, 0.5782428835087476 D-energy-components:, 6, 8, 0.737396, 0.262604, 0 dpwr:, 8, 1.087868963505268, 0.3795081622208108 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.28380775451660156 D-energy-components:, 7, 1, 0.12807, 0.87193, 0 dpwr:, 1, 0.4237414613237859, 0.08405292712334812 D-energy-components:, 7, 2, 0.190236, 0.809764, 0 dpwr:, 2, 0.4457807037098007, 0.3749021561002255 D-energy-components:, 7, 3, 0.394034, 0.605966, 0 dpwr:, 3, 0.6382302673378557, 0.5082270947649588 D-energy-components:, 7, 4, 0.691881, 0.308119, 0 dpwr:, 4, 0.793146886182027, 0.625150307220432 D-energy-components:, 7, 5, 0.335703, 0.664297, 0 dpwr:, 5, 0.8429434922386819, 0.7355775624930287 D-energy-components:, 7, 6, 0.716117, 0.283883, 0 dpwr:, 6, 0.9865231609182586, 0.1869786029020859 D-energy-components:, 7, 7, 0.592896, 0.407104, 0 dpwr:, 7, 1.050175581717465, 0.4077764093887462 D-energy-components:, 7, 8, 0.507261, 0.492739, 0 dpwr:, 8, 1.103834309729433, 0.6404816835356355 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.24152851104736328 D-energy-components:, 8, 1, 0.253956, 0.746044, 0 dpwr:, 1, 0.4547812725154712, 0.08020083733748282 D-energy-components:, 8, 2, 0.258536, 0.741464, 0 dpwr:, 2, 0.45743397685749887, 0.4254322466815973 D-energy-components:, 8, 3, 0.39346, 0.60654, 0 dpwr:, 3, 0.6278984163475798, 0.43806479968587886 D-energy-components:, 8, 4, 0.668133, 0.331867, 0 dpwr:, 4, 0.8052541518094483, 0.6230094255562627 D-energy-components:, 8, 5, 0.454908, 0.545092, 0 dpwr:, 5, 0.8261006682422061, 0.537301542228168 D-energy-components:, 8, 6, 0.562281, 0.437719, 0 dpwr:, 6, 0.9279448597924175, 0.35266364984661674 D-energy-components:, 8, 7, 0.614808, 0.385192, 0 dpwr:, 7, 1.0045628522255512, 0.42073899377155966 D-energy-components:, 8, 8, 0.497393, 0.502607, 0 dpwr:, 8, 1.1087925543150008, 0.7279717672432935 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.2082531452178955 D-energy-components:, 9, 1, 0.353246, 0.646754, 0 dpwr:, 1, 0.4737665959361218, 0.5125827722130576 D-energy-components:, 9, 2, 0.406264, 0.593736, 0 dpwr:, 2, 0.5012788429465532, 0.07946478028056547 D-energy-components:, 9, 3, 0.37582, 0.62418, 0 dpwr:, 3, 0.6135801757468692, 0.3288116237042963 D-energy-components:, 9, 4, 0.604014, 0.395986, 0 dpwr:, 4, 0.7814668693238176, 0.22327322644258488 D-energy-components:, 9, 5, 0.642263, 0.357737, 0 dpwr:, 5, 0.8241814443502158, 0.6095695047976118 D-energy-components:, 9, 6, 0.357719, 0.642281, 0 dpwr:, 6, 0.8949492139663707, 0.6540286383400361 D-energy-components:, 9, 7, 0.617321, 0.382679, 0 dpwr:, 7, 0.9590511572130649, 0.46189058607400674 D-energy-components:, 9, 8, 0.497742, 0.502258, 0 dpwr:, 8, 1.1106978152214062, 0.7615498171610163 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.19925498962402344 D-energy-components:, 10, 1, 0.450645, 0.549355, 0 dpwr:, 1, 0.48964920032989606, 0.6285469371616024 D-energy-components:, 10, 2, 0.55965, 0.44035, 0 dpwr:, 2, 0.55604513435982, 0.09034995963056429 D-energy-components:, 10, 3, 0.336621, 0.663379, 0 dpwr:, 3, 0.5995699405207212, 0.19597806182880306 D-energy-components:, 10, 4, 0.593365, 0.406635, 0 dpwr:, 4, 0.719610675513729, 0.08289042691518998 D-energy-components:, 10, 5, 0.620299, 0.379701, 0 dpwr:, 5, 0.8492467967258366, 0.577797196957645 D-energy-components:, 10, 6, 0.283543, 0.716457, 0 dpwr:, 6, 0.8843373771777042, 0.7772986149180872 D-energy-components:, 10, 7, 0.618314, 0.381686, 0 dpwr:, 7, 0.9171675057709643, 0.5159863025099858 D-energy-components:, 10, 8, 0.499316, 0.500684, 0 dpwr:, 8, 1.1116210575363985, 0.7756611032714785 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.19884085655212402 D-energy-components:, 11, 1, 0.500002, 0.499998, 0 dpwr:, 1, 0.4968358647448983, 0.6986360262353914 D-energy-components:, 11, 2, 0.490408, 0.509592, 0 dpwr:, 2, 0.593140514116089, 0.11965861786804037 D-energy-components:, 11, 3, 0.509591, 0.490409, 0 dpwr:, 3, 0.593153586311783, 0.11954218308176885 D-energy-components:, 11, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.6791690130756998, 0.026633379719868934 D-energy-components:, 11, 5, 0.5, 0.5, 0 dpwr:, 5, 0.8786838141604555, 0.2997497622839389 D-energy-components:, 11, 6, 0.362, 0.638, 0 dpwr:, 6, 0.8819770916660679, 0.8023568424744758 D-energy-components:, 11, 7, 0.638005, 0.361995, 0 dpwr:, 7, 0.8819818134421865, 0.8023816357258009 D-energy-components:, 11, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.111917370755692, 0.77973814087074 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.15707874298095703 D-energy-components:, 12, 1, 0.500001, 0.499999, 0 dpwr:, 1, 0.4709868954434174, 0.4184573101712018 D-energy-components:, 12, 2, 0.5, 0.5, 0 dpwr:, 2, 0.5460026488335806, 0.36589588572050097 D-energy-components:, 12, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6067323336356572, 0.1256061520441952 D-energy-components:, 12, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.7436021910476279, 0.11295231544476769 D-energy-components:, 12, 5, 0.499995, 0.500005, 0 dpwr:, 5, 0.839222595131792, 0.5738505597982526 D-energy-components:, 12, 6, 0.500004, 0.499996, 0 dpwr:, 6, 0.8822539391893156, 0.7904020720489253 D-energy-components:, 12, 7, 0.500006, 0.499994, 0 dpwr:, 7, 0.936970096199009, 0.48184989547041296 D-energy-components:, 12, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1112079237958854, 0.7706100828371905 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.18249011039733887 D-energy-components:, 13, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.3724346769129011, 0.12237408338218404 D-energy-components:, 13, 2, 0.500002, 0.499998, 0 dpwr:, 2, 0.5361862884392888, 0.6769327340984354 D-energy-components:, 13, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6445723178214428, 0.1505564450089377 D-energy-components:, 13, 4, 0.499998, 0.500002, 0 dpwr:, 4, 0.8096891551677092, 0.556241164988417 D-energy-components:, 13, 5, 0.499996, 0.500004, 0 dpwr:, 5, 0.8258043934212929, 0.24643500245447586 D-energy-components:, 13, 6, 0.500008, 0.499992, 0 dpwr:, 6, 0.883642304216048, 0.7471141728536804 D-energy-components:, 13, 7, 0.5, 0.5, 0 dpwr:, 7, 1.010203217330907, 0.3807469886803525 D-energy-components:, 13, 8, 0.5, 0.5, 0 dpwr:, 8, 1.1072514719865556, 0.723618303236 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.25014376640319824 D-energy-components:, 14, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.2520880962287429, 0.065372229884355 D-energy-components:, 14, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.542887135720841, 0.7760897792713894 D-energy-components:, 14, 3, 0.500001, 0.499999, 0 dpwr:, 3, 0.6980810670314983, 0.2209621669844578 D-energy-components:, 14, 4, 0.5, 0.5, 0 dpwr:, 4, 0.7893713580516222, 0.5549181091335921 D-energy-components:, 14, 5, 0.499969, 0.500031, 0 dpwr:, 5, 0.8884826102636733, 0.6405660798512207 D-energy-components:, 14, 6, 0.500033, 0.499967, 0 dpwr:, 6, 0.8978578700405538, 0.3162262953553028 D-energy-components:, 14, 7, 0.499994, 0.500006, 0 dpwr:, 7, 1.0788413408294002, 0.4652285619178092 D-energy-components:, 14, 8, 0.500005, 0.499995, 0 dpwr:, 8, 1.0903856458796726, 0.5462861488765465 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2920963764190674 D-energy-components:, 15, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.12684106903469344, 0.04795279770484807 D-energy-components:, 15, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5499075072904049, 0.8350614780726657 D-energy-components:, 15, 3, 0.499999, 0.500001, 0 dpwr:, 3, 0.7503777100615938, 0.3870295603730605 D-energy-components:, 15, 4, 0.500004, 0.499996, 0 dpwr:, 4, 0.7772608508874304, 0.5369475337140031 D-energy-components:, 15, 5, 0.499997, 0.500003, 0 dpwr:, 5, 0.9030590134928078, 0.3906213130834371 D-energy-components:, 15, 6, 0.500003, 0.499997, 0 dpwr:, 6, 0.9619844143351218, 0.36404230319249226 D-energy-components:, 15, 7, 0.500001, 0.499999, 0 dpwr:, 7, 1.0419064972740382, 0.32291084536080544 D-energy-components:, 15, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.100036744786668, 0.6489227096861885 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6321449279785156 D-energy-components:, 16, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 16, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320101983, 0.8567434642233628 Outputting fields to /tmp/meepW1wGQn/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... D-energy-components:, 16, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069749, 0.5288260828552078 D-energy-components:, 16, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.7732298839480534, 0.5288079685694362 D-energy-components:, 16, 5, 0.5, 0.5, 0 dpwr:, 5, 0.922996519585588, 0.08910054416479621 D-energy-components:, 16, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.0001711176882837, 0.4012466293257069 D-energy-components:, 16, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.0001720032257042, 0.4012520176860429 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 .dpwr:, 8, 1.0928209317478672, 0.2872053790871865 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.227916955947876 done /tmp/meepW1wGQn/test_output_dpwr_in_objects-0: 5.23s /tmp/meepW1wGQn/test_output_efield_z-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0047991275787353516 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 14 iterations. iteration 1: trace = 13.34219610907303 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.48379557413322 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532083754 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674664316 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153594804 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393474956211678 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820096026 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110536303 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920469 (0.0351352% change) linmin: converged after 3 iterations. iteration 10: trace = 4.38118702415154 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064830987 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652840888 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327345709 (0.0364203% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477053556 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613449508 (0.000911426% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192653518 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731089843 (0.000124872% change) linmin: converged after 3 iterations. iteration 18: trace = 4.373723431189937 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977265803 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547637922 (9.82293e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986616656 (1.28271e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 4.373721450686048 (1.22534e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.373721224632492 (5.16845e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 4.373721180254356 (1.01465e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 4.373721172520825 (1.76818e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.373721170365686 (4.92747e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 4.373721169530476 (1.90961e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 4.373721169260167 (6.1803e-09% change) linmin: converged after 8 iterations. iteration 29: trace = 4.373721169187145 (1.66955e-09% change) linmin: converged after 19 iterations. iteration 30: trace = 4.373721169145734 (9.46821e-10% change) linmin: converged after 18 iterations. iteration 31: trace = 4.373721169067061 (1.79875e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 4.373721168966419 (2.30106e-09% change) linmin: converged after 12 iterations. iteration 33: trace = 4.373721168940552 (5.91426e-10% change) linmin: converged after 5 iterations. iteration 34: trace = 4.373721168933661 (1.57543e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.373721168927969 (1.30149e-10% change) linmin: converged after 9 iterations. iteration 36: trace = 4.373721168920051 (1.81038e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 4.373721168904351 (3.5897e-10% change) large trace change predicted (9.95509e-10%) linmin: converged after 3 iterations. iteration 38: trace = 4.3737211688608 (9.95741e-10% change) large trace change predicted (4.53669e-09%) linmin: converged after 5 iterations. iteration 39: trace = 4.373721168662383 (4.53656e-09% change) large trace change predicted (2.07083e-08%) linmin: converged after 6 iterations. iteration 40: trace = 4.373721167756685 (2.07077e-08% change) large trace change predicted (8.12187e-08%) linmin: converged after 4 iterations. iteration 41: trace = 4.373721164204445 (8.12178e-08% change) linmin: converged after 5 iterations. iteration 42: trace = 4.373721158320421 (1.34531e-07% change) linmin: converged after 8 iterations. iteration 43: trace = 4.373721154461297 (8.82344e-08% change) linmin: converged after 24 iterations. iteration 44: trace = 4.373721151304318 (7.21806e-08% change) large trace change predicted (2.03303e-07%) linmin: converged after 4 iterations. iteration 45: trace = 4.373721142412475 (2.03302e-07% change) large trace change predicted (4.92964e-07%) linmin: converged after 6 iterations. iteration 46: trace = 4.373721120855031 (4.92886e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 4.3737210779555 (9.80847e-07% change) large trace change predicted (2.05581e-06%) linmin: converged after 8 iterations. iteration 48: trace = 4.373720988593026 (2.04317e-06% change) linmin: converged after 6 iterations. iteration 49: trace = 4.373720903665617 (1.94177e-06% change) linmin: converged after 6 iterations. iteration 50: trace = 4.373720867144082 (8.35022e-07% change) linmin: converged after 11 iterations. iteration 51: trace = 4.373720856049324 (2.53669e-07% change) linmin: converged after 6 iterations. iteration 52: trace = 4.373720853595573 (5.61021e-08% change) linmin: converged after 7 iterations. iteration 53: trace = 4.37372085301453 (1.32849e-08% change) linmin: converged after 5 iterations. iteration 54: trace = 4.373720852593777 (9.62001e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851990546 (1.37922e-08% change) linmin: converged after 3 iterations. iteration 56: trace = 4.373720851521908 (1.07149e-08% change) linmin: converged after 2 iterations. iteration 57: trace = 4.373720851245654 (6.31622e-09% change) linmin: converged after 14 iterations. iteration 58: trace = 4.373720851095242 (3.439e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044036 (1.17077e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.373720851034436 (2.1948e-10% change) linmin: converged after 6 iterations. iteration 61: trace = 4.373720851032797 (3.7487e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.4203503131866455 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909591842702 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128648879343 (0.940191% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320139038853 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732191604669 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652248159 (0.0286931% change) linmin: converged after 4 iterations. iteration 6: trace = 4.29104241452735 (0.0106784% change) linmin: converged after 4 iterations. iteration 7: trace = 4.29090280857848 (0.00325348% change) linmin: converged after 5 iterations. iteration 8: trace = 4.290872119284602 (0.00071522% change) linmin: converged after 4 iterations. iteration 9: trace = 4.290863227292022 (0.000207231% change) linmin: converged after 6 iterations. iteration 10: trace = 4.290859496297353 (8.69521e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.2908580351137 (3.40534e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.290857390235212 (1.50291e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285456251 (2.44191e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271940894 (3.1498e-07% change) linmin: converged after 19 iterations. iteration 15: trace = 4.290857267535558 (1.02668e-07% change) linmin: converged after 29 iterations. iteration 16: trace = 4.290857264551959 (6.95339e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 4.290857263487744 (2.48019e-08% change) linmin: converged after 18 iterations. iteration 18: trace = 4.290857263235472 (5.87931e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.29085726315652 (1.84e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 4.29085726311545 (9.57137e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096146 (4.499e-10% change) linmin: converged after 8 iterations. iteration 22: trace = 4.290857263085607 (2.45618e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.290857263081671 (9.17187e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 elapsed time for k point: 0.20092320442199707 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.21308300777132 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336650383 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740781023 (0.0140324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.208361881259059 (0.00375102% change) linmin: converged after 5 iterations. iteration 5: trace = 4.208319555170433 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621553 (0.000236877% change) linmin: converged after 4 iterations. iteration 7: trace = 4.208308119593186 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493149 (3.56675e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.208307959679201 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47789e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.208307958537226 (2.35728e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.208307958520756 (3.91378e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.20830795851913 (3.86228e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 elapsed time for k point: 0.11559176445007324 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.15395001917757 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.15091918802937 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.150508696750681 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.150451660631718 (0.00137421% change) linmin: converged after 5 iterations. iteration 5: trace = 4.150445322388952 (0.000152712% change) linmin: converged after 4 iterations. iteration 6: trace = 4.150444374952515 (2.28273e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.150444119567913 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145891 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167718 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934402 (2.97153e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836718 (2.35359e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.150444015829235 (1.80292e-10% change) linmin: converged after 14 iterations. iteration 13: trace = 4.150444015828809 (1.02718e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 elapsed time for k point: 0.11591863632202148 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.123910812540129 (0.437379% change) linmin: converged after 4 iterations. iteration 2: trace = 4.120357431810882 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.119753435230956 (0.0146599% change) linmin: converged after 8 iterations. iteration 4: trace = 4.119635726773633 (0.00285721% change) linmin: converged after 8 iterations. iteration 5: trace = 4.119609536145729 (0.000635753% change) linmin: converged after 6 iterations. iteration 6: trace = 4.119601717815897 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494708 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308931 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.119598600539518 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763419 (4.31134e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.119598598629699 (3.24596e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.119598598622131 (1.8369e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.119598598621692 (1.06721e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 elapsed time for k point: 0.11574411392211914 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244646564 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107313 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166867 (0.0241823% change) linmin: converged after 4 iterations. iteration 4: trace = 4.110889360751742 (0.00728306% change) linmin: converged after 6 iterations. iteration 5: trace = 4.110807039964517 (0.00200253% change) linmin: converged after 5 iterations. iteration 6: trace = 4.110783674084839 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801953 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787367 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125229 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910483 (5.38766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.110777242738063 (4.19433e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.110777242727876 (2.47822e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.110777242725122 (6.69789e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 elapsed time for k point: 0.11562609672546387 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928675 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489971 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254175 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388634 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449422 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.099489966039661 (1.07569e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.099489964533703 (3.67353e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.099489964290493 (5.93269e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.099489964275825 (3.57807e-10% change) linmin: converged after 15 iterations. iteration 12: trace = 4.099489964274799 (2.50237e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 elapsed time for k point: 0.1071615219116211 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.085144174621296 (0.762403% change) linmin: converged after 5 iterations. iteration 2: trace = 4.08011930367582 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385524 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800633 (0.000941116% change) linmin: converged after 5 iterations. iteration 5: trace = 4.079453223619909 (5.87378e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.079452946245483 (6.7993e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 4.079452904344981 (1.02711e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.079452897007465 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879316 (2.76544e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.079452895806833 (1.77679e-09% change) linmin: converged after 7 iterations. iteration 11: trace = 4.079452895803481 (8.21675e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 elapsed time for k point: 0.09869670867919922 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550775 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231339 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 5 iterations. iteration 4: trace = 4.068777004347963 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591242 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.068759373276539 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.06875928297324 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104998 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.0387e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.068759276139258 (3.34845e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.068759276129624 (2.36782e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.068759276129138 (1.19406e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.10723543167114258 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.080410130891641 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235416 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111657 (0.0269206% change) linmin: converged after 5 iterations. iteration 4: trace = 4.075628903758917 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.075534314324658 (0.00232088% change) linmin: converged after 4 iterations. iteration 6: trace = 4.075527488473314 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.07552694979547 (1.83798e-08% change) linmin: converged after 13 iterations. iteration 11: trace = 4.075526949476012 (7.83843e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.07552694936935 (2.61714e-09% change) linmin: converged after 7 iterations. iteration 13: trace = 4.075526949350731 (4.56846e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.075526949349666 (2.61298e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.1242828369140625 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043799 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.105335792815674 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549485 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589768 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664414 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982814 (0.00206873% change) linmin: converged after 4 iterations. iteration 7: trace = 4.092151257465509 (0.00014336% change) linmin: converged after 4 iterations. iteration 8: trace = 4.092150666963196 (1.44301e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.092150601221076 (1.60654e-06% change) linmin: converged after 22 iterations. iteration 10: trace = 4.092150512656769 (2.16425e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.092150442817872 (1.70666e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.092150434447534 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678682 (1.87885e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.092150433621992 (1.38535e-09% change) linmin: converged after 2 iterations. iteration 15: trace = 4.092150433618253 (9.13757e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 elapsed time for k point: 0.13266491889953613 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496076692254 (1.11623% change) linmin: converged after 12 iterations. iteration 2: trace = 4.089161340421265 (0.908868% change) linmin: converged after 6 iterations. iteration 3: trace = 4.060628565810973 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416579832 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154643036 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139220281 (0.011194% change) linmin: converged after 4 iterations. iteration 7: trace = 4.046656969291856 (0.00153632% change) linmin: converged after 6 iterations. iteration 8: trace = 4.046652828279909 (0.000102332% change) linmin: converged after 23 iterations. iteration 9: trace = 4.046652402979373 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.046652262576779 (3.4696e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.046652203574181 (1.45806e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 4.046652185410185 (4.48865e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 4.0466521837883 (4.00797e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.04665218368306 (2.60067e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.046652183677346 (1.41195e-10% change) linmin: converged after 9 iterations. iteration 16: trace = 4.046652183676483 (2.13339e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 elapsed time for k point: 0.14141106605529785 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.05013577039516 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188808 (0.123031% change) linmin: converged after 5 iterations. iteration 3: trace = 4.044571128819183 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705374 (0.0011425% change) linmin: converged after 5 iterations. iteration 5: trace = 4.044514961032807 (0.000246226% change) linmin: converged after 5 iterations. iteration 6: trace = 4.044513397485699 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.044513255709429 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601185 (4.22999e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.044513236602914 (4.9407e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.044513236418497 (4.5597e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.044513236398144 (5.03215e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.044513236396849 (3.20178e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 elapsed time for k point: 0.10705304145812988 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.118867255840121 (0.847851% change) linmin: converged after 5 iterations. iteration 2: trace = 4.114002611070042 (0.118176% change) linmin: converged after 4 iterations. iteration 3: trace = 4.113487291394073 (0.0125268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.113430197532733 (0.00138798% change) linmin: converged after 5 iterations. iteration 5: trace = 4.113416441704805 (0.000334413% change) linmin: converged after 2 iterations. iteration 6: trace = 4.113415367601673 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030413 (2.34771e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.11341526085363 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902213 (2.31296e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.113415259769445 (3.22769e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.113415259756538 (3.13778e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.113415259755488 (2.5522e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 elapsed time for k point: 0.10712075233459473 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177002 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668812 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052034 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995954 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311717 (0.00157809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.240753129287402 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.240749691476934 (9.51e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.240749647343288 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492671 (1.14381e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.240749642080626 (9.71632e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034732 (1.08221e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.240749642029137 (1.31947e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.240749642028245 (2.10277e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 elapsed time for k point: 0.12405180931091309 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.40793968169065 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122196 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936333 (0.0965848% change) linmin: converged after 6 iterations. iteration 4: trace = 4.384518225127843 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382418 (0.0389704% change) linmin: converged after 5 iterations. iteration 6: trace = 4.380355369238088 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462298 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817305979 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398594 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837433 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003572 (0.00173939% change) linmin: converged after 4 iterations. iteration 12: trace = 4.373725631015398 (0.000243499% change) linmin: converged after 4 iterations. iteration 13: trace = 4.373723713248076 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.373723043717631 (1.5308e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373722430078841 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618411 (3.39437e-06% change) large trace change predicted (8.38718e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.37372191477277 (8.38749e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.373721775011841 (3.19547e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.373721750854249 (5.52335e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706705 (1.6342e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 4.373721741956118 (4.00251e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.373721741656313 (6.85468e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.373721741513538 (3.26438e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 4.373721741466469 (1.07618e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 4.373721741452099 (3.2857e-10% change) linmin: converged after 9 iterations. iteration 27: trace = 4.373721741432774 (4.41843e-10% change) large trace change predicted (8.94692e-10%) linmin: converged after 8 iterations. iteration 28: trace = 4.37372174139364 (8.94733e-10% change) linmin: converged after 7 iterations. iteration 29: trace = 4.373721741340023 (1.2259e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.373721741314144 (5.9169e-10% change) linmin: converged after 6 iterations. iteration 31: trace = 4.373721741304088 (2.29918e-10% change) large trace change predicted (8.84973e-10%) linmin: converged after 10 iterations. iteration 32: trace = 4.373721741265382 (8.84965e-10% change) large trace change predicted (1.78898e-09%) linmin: converged after 4 iterations. iteration 33: trace = 4.373721741187132 (1.7891e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 4.373721741036645 (3.4407e-09% change) large trace change predicted (3.16487e-08%) linmin: converged after 7 iterations. iteration 35: trace = 4.373721739652423 (3.16486e-08% change) large trace change predicted (1.81295e-07%) linmin: converged after 3 iterations. iteration 36: trace = 4.373721731723789 (1.81279e-07% change) large trace change predicted (7.4209e-07%) linmin: converged after 9 iterations. iteration 37: trace = 4.373721699299203 (7.4135e-07% change) large trace change predicted (1.81225e-06%) linmin: converged after 10 iterations. iteration 38: trace = 4.373721620597815 (1.79941e-06% change) large trace change predicted (3.99066e-06%) linmin: converged after 6 iterations. iteration 39: trace = 4.373721449768812 (3.9058e-06% change) linmin: converged after 17 iterations. iteration 40: trace = 4.373721351729983 (2.24154e-06% change) linmin: converged after 6 iterations. iteration 41: trace = 4.37372128953247 (1.42207e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 4.373721193138318 (2.20394e-06% change) linmin: converged after 4 iterations. iteration 43: trace = 4.373721123132209 (1.60061e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 4.373721025967869 (2.22155e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 4.373720919599757 (2.43198e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 4.373720871343368 (1.10333e-06% change) linmin: converged after 7 iterations. iteration 47: trace = 4.373720860391188 (2.50409e-07% change) linmin: converged after 6 iterations. iteration 48: trace = 4.373720857843555 (5.82486e-08% change) linmin: converged after 2 iterations. iteration 49: trace = 4.373720856559141 (2.93666e-08% change) linmin: converged after 4 iterations. iteration 50: trace = 4.373720854515799 (4.67186e-08% change) linmin: converged after 4 iterations. iteration 51: trace = 4.373720852663222 (4.2357e-08% change) linmin: converged after 8 iterations. iteration 52: trace = 4.373720851890384 (1.76701e-08% change) linmin: converged after 6 iterations. iteration 53: trace = 4.373720851693109 (4.51044e-09% change) linmin: converged after 6 iterations. iteration 54: trace = 4.373720851644425 (1.11312e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851632095 (2.81904e-10% change) linmin: converged after 4 iterations. iteration 56: trace = 4.37372085162029 (2.69902e-10% change) linmin: converged after 4 iterations. iteration 57: trace = 4.373720851604655 (3.57487e-10% change) linmin: converged after 4 iterations. iteration 58: trace = 4.373720851598128 (1.49237e-10% change) linmin: converged after 9 iterations. iteration 59: trace = 4.373720851594252 (8.86204e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.40410614013671875 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537333 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4171142493246635 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370316 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654603 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977231 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542509 at Vector3<0.0, 0.0, 0.0> to 0.713395151642351 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.741310965706866 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571235 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251522 at Vector3<0.3, 0.3, 0.0> to 0.8783155473463851 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811313 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064022 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294802 at Vector3<0.5, 0.5, 0.0> to 1.082592384145084 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537333) to band 2 (0.4171142493246635), 39.01265395643903% Gap from band 4 (0.713395151642351) to band 5 (0.741310965706866), 3.838000504924469% total elapsed time for run: 2.543992757797241 done Fixing e-field (band 8) phase by 2.47658e-08 + -1i; max ampl. = 1.49941 .Outputting fields to /tmp/meepW1wGQn/test_output_efield_z-0-e.k16.b08.z.tm.h5... /tmp/meepW1wGQn/test_output_efield_z-0: 2.56s /tmp/meepW1wGQn/test_output_field_to_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004781484603881836 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3589463233947754 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.0302679538726807 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.2254335880279541 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20908761024475098 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.24209833145141602 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.37700963020324707 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.2847025394439697 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.24210262298583984 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.20883440971374512 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.2000267505645752 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.1996016502380371 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.15752506256103516 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.18300414085388184 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.25079822540283203 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2932584285736084 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6333377361297607 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.102144718170166 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepW1wGQn/test_output_field_to_file-0-epsilon.h5... /tmp/meepW1wGQn/test_output_field_to_file-0: 5.13s /tmp/meepW1wGQn/test_output_tot_pwr-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.00475311279296875 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3591628074645996 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.0272870063781738 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.2246708869934082 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20858359336853027 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.24145221710205078 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.37595415115356445 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.28392624855041504 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.24165964126586914 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.2083885669708252 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.19954609870910645 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.1991434097290039 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.15709185600280762 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.18276572227478027 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.2502422332763672 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.29236888885498047 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.631685733795166 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.089982271194458 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 Outputting /tmp/meepW1wGQn/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 ./tmp/meepW1wGQn/test_output_tot_pwr-0: 5.11s /tmp/meepW1wGQn/test_point_defect_state-0 ======================== Initializing eigensolver data Computing 50 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 10 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.09744644165039062 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12, tm band 13, tm band 14, tm band 15, tm band 16, tm band 17, tm band 18, tm band 19, tm band 20, tm band 21, tm band 22, tm band 23, tm band 24, tm band 25, tm band 26, tm band 27, tm band 28, tm band 29, tm band 30, tm band 31, tm band 32, tm band 33, tm band 34, tm band 35, tm band 36, tm band 37, tm band 38, tm band 39, tm band 40, tm band 41, tm band 42, tm band 43, tm band 44, tm band 45, tm band 46, tm band 47, tm band 48, tm band 49, tm band 50 Solving for bands 1 to 10... near maximum in trace linmin: converged after 12 iterations. iteration 1: trace = 0.9773582023559235 (198.958% change) linmin: converged after 7 iterations. iteration 2: trace = 0.3161530410987916 (102.234% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2757707805418323 (13.6444% change) linmin: converged after 6 iterations. iteration 4: trace = 0.257897788896457 (6.69816% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2538047517632821 (1.59977% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2525216664485038 (0.506821% change) linmin: converged after 7 iterations. iteration 7: trace = 0.2513324422133905 (0.472051% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2505245456117674 (0.321963% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2503563741415212 (0.0671503% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2503392642292787 (0.00683446% change) linmin: converged after 5 iterations. iteration 11: trace = 0.2503364696617256 (0.00111632% change) linmin: converged after 5 iterations. iteration 12: trace = 0.2503356979333092 (0.000308277% change) linmin: converged after 8 iterations. iteration 13: trace = 0.2503350629329605 (0.00025366% change) linmin: converged after 6 iterations. iteration 14: trace = 0.2503346861323364 (0.000150519% change) linmin: converged after 3 iterations. iteration 15: trace = 0.2503342765388503 (0.000163618% change) large trace change predicted (0.000678429%) linmin: converged after 4 iterations. iteration 16: trace = 0.2503325842641616 (0.000676008% change) large trace change predicted (0.00631306%) linmin: converged after 5 iterations. iteration 17: trace = 0.2503200648278252 (0.00500125% change) linmin: converged after 5 iterations. iteration 18: trace = 0.2503038592919016 (0.00647414% change) linmin: converged after 5 iterations. iteration 19: trace = 0.2502978020837493 (0.00241997% change) linmin: converged after 9 iterations. iteration 20: trace = 0.2502965572166947 (0.000497356% change) linmin: converged after 3 iterations. iteration 21: trace = 0.2502958707162586 (0.000274275% change) linmin: converged after 4 iterations. iteration 22: trace = 0.2502955615722022 (0.000123512% change) linmin: converged after 5 iterations. iteration 23: trace = 0.250295522825313 (1.54805e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 0.2502955176855893 (2.05346e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.2502955170624752 (2.48951e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.2502955167761088 (1.14411e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.2502955164556041 (1.28051e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.2502955162302486 (9.00358e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 0.2502955158423144 (1.54991e-07% change) large trace change predicted (7.06243e-07%) linmin: converged after 6 iterations. iteration 30: trace = 0.2502955140746249 (7.06241e-07% change) large trace change predicted (1.92421e-06%) linmin: converged after 12 iterations. iteration 31: trace = 0.2502955092582625 (1.92427e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 0.2502955074678244 (7.1533e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 0.2502955071409466 (1.30597e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 0.2502955070820908 (2.35145e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.2502955070452403 (1.47228e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 0.2502955070312159 (5.60311e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 0.2502955070289634 (8.99949e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.2502955070287117 (1.00578e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.2502955070286812 (1.21759e-11% change) Finished solving for bands 1 to 10 after 39 iterations. Solving for bands 11 to 20... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 2.764077180845796 (197.059% change) linmin: converged after 9 iterations. iteration 2: trace = 0.7088244446969283 (118.359% change) linmin: converged after 10 iterations. iteration 3: trace = 0.5830461791329391 (19.4723% change) linmin: converged after 5 iterations. iteration 4: trace = 0.5699441137404048 (2.27271% change) linmin: converged after 5 iterations. iteration 5: trace = 0.5601912956300449 (1.72596% change) linmin: converged after 6 iterations. iteration 6: trace = 0.5549770051160473 (0.935158% change) linmin: converged after 4 iterations. iteration 7: trace = 0.5536217793784503 (0.244493% change) linmin: converged after 5 iterations. iteration 8: trace = 0.5527881753527273 (0.150686% change) linmin: converged after 5 iterations. iteration 9: trace = 0.5525197784067124 (0.0485651% change) linmin: converged after 5 iterations. iteration 10: trace = 0.5524120846461784 (0.0194933% change) linmin: converged after 5 iterations. iteration 11: trace = 0.5523393402505168 (0.0131694% change) linmin: converged after 8 iterations. iteration 12: trace = 0.552316260714012 (0.00417859% change) linmin: converged after 6 iterations. iteration 13: trace = 0.5523079347090766 (0.00150748% change) linmin: converged after 6 iterations. iteration 14: trace = 0.5523053045770255 (0.000476209% change) linmin: converged after 5 iterations. iteration 15: trace = 0.5523046348503384 (0.00012126% change) linmin: converged after 5 iterations. iteration 16: trace = 0.5523044939040845 (2.55197e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 0.5523044363704666 (1.0417e-05% change) linmin: converged after 6 iterations. iteration 18: trace = 0.5523044197503937 (3.00922e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 0.5523044169605393 (5.0513e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.5523044161634876 (1.44314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 0.5523044158163853 (6.28462e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 0.5523044156915801 (2.25972e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 0.5523044156388313 (9.55068e-09% change) linmin: converged after 7 iterations. iteration 24: trace = 0.552304415609199 (5.36521e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 0.5523044156003188 (1.60783e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 0.552304415597071 (5.88054e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 0.5523044155956456 (2.58085e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 0.5523044155954073 (4.31381e-11% change) Finished solving for bands 11 to 20 after 28 iterations. Solving for bands 21 to 30... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 5.040666542923256 (194.661% change) linmin: converged after 9 iterations. iteration 2: trace = 1.784736938541579 (95.4062% change) linmin: converged after 5 iterations. iteration 3: trace = 1.523333415734344 (15.804% change) linmin: converged after 5 iterations. iteration 4: trace = 1.441532080401971 (5.51805% change) linmin: converged after 5 iterations. iteration 5: trace = 1.405219437354869 (2.55116% change) linmin: converged after 5 iterations. iteration 6: trace = 1.388014989123931 (1.23187% change) linmin: converged after 5 iterations. iteration 7: trace = 1.376962867797504 (0.799437% change) linmin: converged after 5 iterations. iteration 8: trace = 1.372681951039519 (0.31138% change) linmin: converged after 5 iterations. iteration 9: trace = 1.370878340769561 (0.13148% change) linmin: converged after 4 iterations. iteration 10: trace = 1.370189509053813 (0.0502601% change) linmin: converged after 4 iterations. iteration 11: trace = 1.369866377996482 (0.0235857% change) linmin: converged after 4 iterations. iteration 12: trace = 1.369627803906851 (0.0174174% change) linmin: converged after 5 iterations. iteration 13: trace = 1.369391088062248 (0.0172847% change) linmin: converged after 5 iterations. iteration 14: trace = 1.369169936341493 (0.0161509% change) linmin: converged after 5 iterations. iteration 15: trace = 1.369039043664261 (0.00956046% change) linmin: converged after 5 iterations. iteration 16: trace = 1.368967099875688 (0.0052552% change) linmin: converged after 4 iterations. iteration 17: trace = 1.368919763088868 (0.00345791% change) linmin: converged after 6 iterations. iteration 18: trace = 1.368881565082301 (0.00279041% change) linmin: converged after 4 iterations. iteration 19: trace = 1.368847148201909 (0.00251427% change) linmin: converged after 5 iterations. iteration 20: trace = 1.36881605703333 (0.00227137% change) linmin: converged after 10 iterations. iteration 21: trace = 1.368795335795349 (0.00151382% change) linmin: converged after 4 iterations. iteration 22: trace = 1.368783116278407 (0.000892725% change) linmin: converged after 5 iterations. iteration 23: trace = 1.368774313873093 (0.000643085% change) linmin: converged after 5 iterations. iteration 24: trace = 1.368767027165058 (0.000532354% change) linmin: converged after 7 iterations. iteration 25: trace = 1.368760736431293 (0.000459592% change) linmin: converged after 6 iterations. iteration 26: trace = 1.368755530414134 (0.000380346% change) linmin: converged after 5 iterations. iteration 27: trace = 1.368752119509197 (0.000249198% change) linmin: converged after 5 iterations. iteration 28: trace = 1.368749700077287 (0.000176762% change) linmin: converged after 4 iterations. iteration 29: trace = 1.368747854833746 (0.000134812% change) linmin: converged after 4 iterations. iteration 30: trace = 1.368746241521791 (0.000117868% change) linmin: converged after 5 iterations. iteration 31: trace = 1.36874510367558 (8.31306e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 1.36874440636607 (5.09452e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 1.368744106173419 (2.1932e-05% change) linmin: converged after 4 iterations. iteration 34: trace = 1.368743978090965 (9.35766e-06% change) linmin: converged after 4 iterations. iteration 35: trace = 1.368743922574738 (4.056e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 1.368743896765819 (1.88559e-06% change) linmin: converged after 3 iterations. iteration 37: trace = 1.36874388409274 (9.25891e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 1.368743877674887 (4.68886e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 1.368743873565336 (3.00243e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 1.368743870515593 (2.22813e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 1.368743865625767 (3.57249e-07% change) linmin: converged after 4 iterations. iteration 42: trace = 1.368743856077983 (6.97558e-07% change) linmin: converged after 3 iterations. iteration 43: trace = 1.36874383748223 (1.3586e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 1.368743804106892 (2.43839e-06% change) linmin: converged after 14 iterations. iteration 45: trace = 1.368743762213104 (3.06075e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 1.36874371846907 (3.19593e-06% change) linmin: converged after 15 iterations. iteration 47: trace = 1.368743667117323 (3.75174e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 1.368743567913375 (7.24781e-06% change) linmin: converged after 4 iterations. iteration 49: trace = 1.368743413509943 (1.12807e-05% change) linmin: converged after 6 iterations. iteration 50: trace = 1.368743170382786 (1.77628e-05% change) linmin: converged after 6 iterations. iteration 51: trace = 1.368742909642621 (1.90496e-05% change) linmin: converged after 5 iterations. iteration 52: trace = 1.368742678092959 (1.6917e-05% change) linmin: converged after 6 iterations. iteration 53: trace = 1.368742429366422 (1.81719e-05% change) linmin: converged after 6 iterations. iteration 54: trace = 1.368741979802333 (3.28451e-05% change) large trace change predicted (7.74576e-05%) linmin: converged after 7 iterations. iteration 55: trace = 1.368740938905681 (7.60477e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 1.368739090024038 (0.000135079% change) linmin: converged after 6 iterations. iteration 57: trace = 1.36873708894074 (0.000146199% change) linmin: converged after 8 iterations. iteration 58: trace = 1.368735675161346 (0.000103291% change) linmin: converged after 6 iterations. iteration 59: trace = 1.368734891386064 (5.72627e-05% change) linmin: converged after 6 iterations. iteration 60: trace = 1.368734383050045 (3.71391e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 1.368733869801588 (3.7498e-05% change) linmin: converged after 5 iterations. iteration 62: trace = 1.368733229782767 (4.67599e-05% change) linmin: converged after 7 iterations. iteration 63: trace = 1.36873261287682 (4.50713e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 1.368732103605324 (3.72075e-05% change) linmin: converged after 6 iterations. iteration 65: trace = 1.368731784348149 (2.3325e-05% change) linmin: converged after 9 iterations. iteration 66: trace = 1.368731593547188 (1.394e-05% change) linmin: converged after 5 iterations. iteration 67: trace = 1.368731481636013 (8.17627e-06% change) linmin: converged after 5 iterations. iteration 68: trace = 1.368731406752675 (5.471e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 1.368731346617769 (4.39348e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.368731326394311 (1.47753e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.368731305811569 (1.50378e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 1.368731292684357 (9.59079e-07% change) linmin: converged after 3 iterations. iteration 73: trace = 1.36873127419008 (1.3512e-06% change) linmin: converged after 2 iterations. iteration 74: trace = 1.368731246833462 (1.99868e-06% change) linmin: converged after 2 iterations. iteration 75: trace = 1.368731222074552 (1.80889e-06% change) linmin: converged after 3 iterations. iteration 76: trace = 1.368731209362985 (9.28712e-07% change) linmin: converged after 2 iterations. iteration 77: trace = 1.368731204978184 (3.20355e-07% change) linmin: converged after 4 iterations. iteration 78: trace = 1.368731202162718 (2.05699e-07% change) linmin: converged after 3 iterations. iteration 79: trace = 1.368731199543908 (1.91331e-07% change) linmin: converged after 2 iterations. iteration 80: trace = 1.368731196862454 (1.95908e-07% change) linmin: converged after 4 iterations. iteration 81: trace = 1.368731195121184 (1.27218e-07% change) linmin: converged after 2 iterations. iteration 82: trace = 1.368731194394578 (5.30861e-08% change) linmin: converged after 3 iterations. iteration 83: trace = 1.368731194038046 (2.60483e-08% change) linmin: converged after 2 iterations. iteration 84: trace = 1.368731193798172 (1.75253e-08% change) linmin: converged after 2 iterations. iteration 85: trace = 1.368731193444333 (2.58516e-08% change) linmin: converged after 2 iterations. iteration 86: trace = 1.368731192938891 (3.69278e-08% change) linmin: converged after 2 iterations. iteration 87: trace = 1.368731192445008 (3.60833e-08% change) linmin: converged after 2 iterations. iteration 88: trace = 1.368731191973227 (3.44684e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 1.368731191459086 (3.75634e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 1.368731190769135 (5.0408e-08% change) linmin: converged after 2 iterations. iteration 91: trace = 1.368731189492379 (9.32802e-08% change) linmin: converged after 3 iterations. iteration 92: trace = 1.368731187985154 (1.10118e-07% change) linmin: converged after 2 iterations. iteration 93: trace = 1.36873118608632 (1.38729e-07% change) linmin: converged after 6 iterations. iteration 94: trace = 1.368731183022251 (2.23862e-07% change) linmin: converged after 3 iterations. iteration 95: trace = 1.368731177616951 (3.94913e-07% change) large trace change predicted (9.62714e-07%) linmin: converged after 3 iterations. iteration 96: trace = 1.368731164440703 (9.62662e-07% change) large trace change predicted (1.97271e-06%) linmin: converged after 5 iterations. iteration 97: trace = 1.368731137442343 (1.97251e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 1.368731113447543 (1.75307e-06% change) linmin: converged after 6 iterations. iteration 99: trace = 1.368731088538446 (1.81987e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 1.36873106915038 (1.4165e-06% change) linmin: converged after 4 iterations. iteration 101: trace = 1.368731058831992 (7.53865e-07% change) linmin: converged after 5 iterations. iteration 102: trace = 1.368731053231999 (4.09138e-07% change) linmin: converged after 5 iterations. iteration 103: trace = 1.368731050633477 (1.89849e-07% change) linmin: converged after 4 iterations. iteration 104: trace = 1.368731049719535 (6.67729e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 1.368731049381503 (2.46967e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 1.368731049212968 (1.23133e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 1.368731049113034 (7.30119e-09% change) linmin: converged after 4 iterations. iteration 108: trace = 1.368731049042237 (5.17247e-09% change) linmin: converged after 8 iterations. iteration 109: trace = 1.368731048990516 (3.77871e-09% change) linmin: converged after 5 iterations. iteration 110: trace = 1.368731048950163 (2.94824e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 1.368731048928337 (1.59461e-09% change) linmin: converged after 4 iterations. iteration 112: trace = 1.368731048916029 (8.99238e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 1.368731048899371 (1.21706e-09% change) linmin: converged after 12 iterations. iteration 114: trace = 1.368731048867833 (2.30415e-09% change) large trace change predicted (6.63129e-09%) linmin: converged after 5 iterations. iteration 115: trace = 1.368731048777074 (6.63087e-09% change) large trace change predicted (2.53804e-08%) linmin: converged after 8 iterations. iteration 116: trace = 1.368731048429683 (2.53806e-08% change) large trace change predicted (6.62423e-08%) linmin: converged after 4 iterations. iteration 117: trace = 1.368731047522987 (6.62435e-08% change) linmin: converged after 9 iterations. iteration 118: trace = 1.368731045911949 (1.17703e-07% change) linmin: converged after 6 iterations. iteration 119: trace = 1.368731044215292 (1.23958e-07% change) linmin: converged after 5 iterations. iteration 120: trace = 1.368731043119996 (8.00228e-08% change) linmin: converged after 8 iterations. iteration 121: trace = 1.368731041991438 (8.24529e-08% change) large trace change predicted (1.95815e-07%) linmin: converged after 5 iterations. iteration 122: trace = 1.3687310393113 (1.95812e-07% change) large trace change predicted (5.71811e-07%) linmin: converged after 4 iterations. iteration 123: trace = 1.368731031487031 (5.71644e-07% change) large trace change predicted (1.3682e-06%) linmin: converged after 5 iterations. iteration 124: trace = 1.368731012773896 (1.36719e-06% change) linmin: converged after 6 iterations. iteration 125: trace = 1.368730990331651 (1.63964e-06% change) linmin: converged after 5 iterations. iteration 126: trace = 1.368730976259901 (1.02809e-06% change) linmin: converged after 4 iterations. iteration 127: trace = 1.368730969535342 (4.91299e-07% change) linmin: converged after 6 iterations. iteration 128: trace = 1.368730962838758 (4.89255e-07% change) large trace change predicted (1.03733e-06%) linmin: converged after 6 iterations. iteration 129: trace = 1.36873094862866 (1.0382e-06% change) large trace change predicted (2.10061e-06%) linmin: converged after 5 iterations. iteration 130: trace = 1.368730919792701 (2.10677e-06% change) linmin: converged after 5 iterations. iteration 131: trace = 1.368730881722195 (2.78145e-06% change) linmin: converged after 6 iterations. iteration 132: trace = 1.368730850734699 (2.26396e-06% change) linmin: converged after 5 iterations. iteration 133: trace = 1.368730836026351 (1.0746e-06% change) linmin: converged after 5 iterations. iteration 134: trace = 1.368730830365246 (4.13603e-07% change) linmin: converged after 7 iterations. iteration 135: trace = 1.368730826867019 (2.55582e-07% change) linmin: converged after 4 iterations. iteration 136: trace = 1.368730824080892 (2.03556e-07% change) linmin: converged after 4 iterations. iteration 137: trace = 1.368730822418018 (1.2149e-07% change) linmin: converged after 4 iterations. iteration 138: trace = 1.36873082197203 (3.25841e-08% change) linmin: converged after 5 iterations. iteration 139: trace = 1.368730821796235 (1.28437e-08% change) resetting CG direction... linmin: converged after 9 iterations. iteration 140: trace = 1.368730821733606 (4.57567e-09% change) linmin: converged after 3 iterations. iteration 141: trace = 1.368730821659858 (5.38808e-09% change) linmin: converged after 10 iterations. iteration 142: trace = 1.36873082151585 (1.05213e-08% change) linmin: converged after 2 iterations. iteration 143: trace = 1.368730821273502 (1.7706e-08% change) linmin: converged after 2 iterations. iteration 144: trace = 1.368730820985974 (2.10069e-08% change) linmin: converged after 2 iterations. iteration 145: trace = 1.368730820767075 (1.59928e-08% change) linmin: converged after 3 iterations. iteration 146: trace = 1.368730820648635 (8.65327e-09% change) linmin: converged after 7 iterations. iteration 147: trace = 1.368730820557814 (6.63539e-09% change) linmin: converged after 3 iterations. iteration 148: trace = 1.368730820423147 (9.83883e-09% change) linmin: converged after 2 iterations. iteration 149: trace = 1.368730820262576 (1.17314e-08% change) linmin: converged after 4 iterations. iteration 150: trace = 1.368730820125318 (1.00281e-08% change) linmin: converged after 2 iterations. iteration 151: trace = 1.368730819999038 (9.22612e-09% change) linmin: converged after 2 iterations. iteration 152: trace = 1.368730819767341 (1.69278e-08% change) large trace change predicted (3.47779e-08%) linmin: converged after 2 iterations. iteration 153: trace = 1.368730819291329 (3.47776e-08% change) linmin: converged after 9 iterations. iteration 154: trace = 1.368730818451228 (6.13781e-08% change) linmin: converged after 4 iterations. iteration 155: trace = 1.368730817101729 (9.85949e-08% change) linmin: converged after 4 iterations. iteration 156: trace = 1.368730815685835 (1.03446e-07% change) linmin: converged after 5 iterations. iteration 157: trace = 1.368730814066683 (1.18296e-07% change) linmin: converged after 4 iterations. iteration 158: trace = 1.368730811281377 (2.03496e-07% change) linmin: converged after 12 iterations. iteration 159: trace = 1.368730806629213 (3.39889e-07% change) linmin: converged after 5 iterations. iteration 160: trace = 1.368730801720285 (3.58648e-07% change) linmin: converged after 5 iterations. iteration 161: trace = 1.368730797820074 (2.84951e-07% change) linmin: converged after 4 iterations. iteration 162: trace = 1.368730794633 (2.32849e-07% change) linmin: converged after 12 iterations. iteration 163: trace = 1.368730792322217 (1.68827e-07% change) linmin: converged after 7 iterations. iteration 164: trace = 1.368730790295332 (1.48085e-07% change) linmin: converged after 5 iterations. iteration 165: trace = 1.368730788728359 (1.14484e-07% change) linmin: converged after 10 iterations. iteration 166: trace = 1.368730787581295 (8.38049e-08% change) linmin: converged after 15 iterations. iteration 167: trace = 1.368730786729086 (6.22627e-08% change) linmin: converged after 5 iterations. iteration 168: trace = 1.368730786120586 (4.44572e-08% change) linmin: converged after 4 iterations. iteration 169: trace = 1.368730785756055 (2.66327e-08% change) linmin: converged after 4 iterations. iteration 170: trace = 1.368730785553909 (1.47689e-08% change) linmin: converged after 4 iterations. iteration 171: trace = 1.368730785472764 (5.92848e-09% change) linmin: converged after 4 iterations. iteration 172: trace = 1.368730785441505 (2.28383e-09% change) linmin: converged after 6 iterations. iteration 173: trace = 1.368730785430493 (8.04547e-10% change) linmin: converged after 6 iterations. iteration 174: trace = 1.368730785427151 (2.44151e-10% change) linmin: converged after 6 iterations. iteration 175: trace = 1.368730785426181 (7.09093e-11% change) Finished solving for bands 21 to 30 after 175 iterations. Solving for bands 31 to 40... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 7.230105987750426 (192.441% change) linmin: converged after 10 iterations. iteration 2: trace = 2.817363955418533 (87.8379% change) linmin: converged after 6 iterations. iteration 3: trace = 2.383772393609687 (16.673% change) linmin: converged after 6 iterations. iteration 4: trace = 2.264181964607012 (5.14594% change) linmin: converged after 5 iterations. iteration 5: trace = 2.205266220456754 (2.63638% change) linmin: converged after 5 iterations. iteration 6: trace = 2.1832487846486 (1.00341% change) linmin: converged after 5 iterations. iteration 7: trace = 2.173760418380946 (0.435545% change) linmin: converged after 5 iterations. iteration 8: trace = 2.167774172597775 (0.275766% change) linmin: converged after 5 iterations. iteration 9: trace = 2.163580455571503 (0.193645% change) linmin: converged after 5 iterations. iteration 10: trace = 2.159739102876676 (0.177704% change) linmin: converged after 4 iterations. iteration 11: trace = 2.157022131429948 (0.12588% change) linmin: converged after 4 iterations. iteration 12: trace = 2.155362927319328 (0.0769506% change) linmin: converged after 4 iterations. iteration 13: trace = 2.154174718757705 (0.0551432% change) linmin: converged after 5 iterations. iteration 14: trace = 2.153097728112125 (0.050008% change) linmin: converged after 6 iterations. iteration 15: trace = 2.15235642400448 (0.0344356% change) linmin: converged after 5 iterations. iteration 16: trace = 2.15180450475229 (0.0256458% change) linmin: converged after 5 iterations. iteration 17: trace = 2.151338217817641 (0.0216719% change) linmin: converged after 4 iterations. iteration 18: trace = 2.151061657385485 (0.0128561% change) linmin: converged after 5 iterations. iteration 19: trace = 2.150823285056271 (0.0110822% change) linmin: converged after 4 iterations. iteration 20: trace = 2.150656546089791 (0.00775263% change) linmin: converged after 4 iterations. iteration 21: trace = 2.150547246723792 (0.00508227% change) linmin: converged after 7 iterations. iteration 22: trace = 2.150480109958767 (0.00312189% change) linmin: converged after 4 iterations. iteration 23: trace = 2.150447075225674 (0.00153617% change) linmin: converged after 4 iterations. iteration 24: trace = 2.150426789547736 (0.000943328% change) linmin: converged after 4 iterations. iteration 25: trace = 2.150415525139868 (0.000523823% change) linmin: converged after 5 iterations. iteration 26: trace = 2.150409795938676 (0.000266423% change) linmin: converged after 4 iterations. iteration 27: trace = 2.150405286706803 (0.000209692% change) linmin: converged after 5 iterations. iteration 28: trace = 2.150402138342396 (0.000146408% change) linmin: converged after 5 iterations. iteration 29: trace = 2.15039951967766 (0.000121776% change) linmin: converged after 5 iterations. iteration 30: trace = 2.150396647693932 (0.000133556% change) linmin: converged after 6 iterations. iteration 31: trace = 2.15039309708856 (0.000165114% change) linmin: converged after 5 iterations. iteration 32: trace = 2.150387652725406 (0.00025318% change) linmin: converged after 8 iterations. iteration 33: trace = 2.150380789395641 (0.000319168% change) linmin: converged after 6 iterations. iteration 34: trace = 2.150373777801973 (0.000326063% change) linmin: converged after 8 iterations. iteration 35: trace = 2.150366762855977 (0.00032622% change) linmin: converged after 5 iterations. iteration 36: trace = 2.150359395581275 (0.000342606% change) linmin: converged after 5 iterations. iteration 37: trace = 2.150351902479033 (0.000348459% change) linmin: converged after 5 iterations. iteration 38: trace = 2.150343143693411 (0.00040732% change) linmin: converged after 5 iterations. iteration 39: trace = 2.150335243913474 (0.000367374% change) linmin: converged after 8 iterations. iteration 40: trace = 2.150328827822987 (0.000298377% change) linmin: converged after 4 iterations. iteration 41: trace = 2.150323123200791 (0.000265291% change) linmin: converged after 4 iterations. iteration 42: trace = 2.150319840711929 (0.000152651% change) linmin: converged after 3 iterations. iteration 43: trace = 2.150317369615284 (0.000114918% change) linmin: converged after 4 iterations. iteration 44: trace = 2.150315485699108 (8.76111e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 2.15031448507574 (4.65338e-05% change) linmin: converged after 4 iterations. iteration 46: trace = 2.150313850311139 (2.95196e-05% change) linmin: converged after 4 iterations. iteration 47: trace = 2.150313567740612 (1.31409e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 2.150313402385311 (7.68982e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 2.150313290591932 (5.19893e-06% change) linmin: converged after 4 iterations. iteration 50: trace = 2.150313233309777 (2.6639e-06% change) linmin: converged after 2 iterations. iteration 51: trace = 2.150313205103741 (1.31172e-06% change) linmin: converged after 3 iterations. iteration 52: trace = 2.150313191063382 (6.52945e-07% change) linmin: converged after 2 iterations. iteration 53: trace = 2.150313183156064 (3.67729e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 2.150313178006297 (2.39489e-07% change) linmin: converged after 4 iterations. iteration 55: trace = 2.150313174684387 (1.54485e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 2.150313172986924 (7.89403e-08% change) linmin: converged after 17 iterations. iteration 57: trace = 2.150313171840435 (5.33173e-08% change) linmin: converged after 3 iterations. iteration 58: trace = 2.150313171039328 (3.72554e-08% change) linmin: converged after 19 iterations. iteration 59: trace = 2.150313170619083 (1.95434e-08% change) linmin: converged after 3 iterations. iteration 60: trace = 2.150313170310643 (1.4344e-08% change) linmin: converged after 2 iterations. iteration 61: trace = 2.150313170079449 (1.07517e-08% change) linmin: converged after 2 iterations. iteration 62: trace = 2.150313169877387 (9.39684e-09% change) linmin: converged after 2 iterations. iteration 63: trace = 2.15031316968174 (9.09854e-09% change) linmin: converged after 4 iterations. iteration 64: trace = 2.15031316952751 (7.17244e-09% change) linmin: converged after 2 iterations. iteration 65: trace = 2.150313169349765 (8.266e-09% change) linmin: converged after 2 iterations. iteration 66: trace = 2.150313169164878 (8.59817e-09% change) linmin: converged after 2 iterations. iteration 67: trace = 2.150313168971961 (8.97155e-09% change) linmin: converged after 3 iterations. iteration 68: trace = 2.15031316872713 (1.13859e-08% change) linmin: converged after 2 iterations. iteration 69: trace = 2.150313168488439 (1.11003e-08% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 2.150313168384228 (4.84633e-09% change) linmin: converged after 2 iterations. iteration 71: trace = 2.150313168200382 (8.54972e-09% change) linmin: converged after 2 iterations. iteration 72: trace = 2.150313168068041 (6.15453e-09% change) linmin: converged after 3 iterations. iteration 73: trace = 2.150313167955578 (5.23007e-09% change) linmin: converged after 3 iterations. iteration 74: trace = 2.150313167849424 (4.93664e-09% change) linmin: converged after 3 iterations. iteration 75: trace = 2.150313167775429 (3.44115e-09% change) linmin: converged after 2 iterations. iteration 76: trace = 2.150313167691481 (3.90399e-09% change) linmin: converged after 3 iterations. iteration 77: trace = 2.150313167607275 (3.91597e-09% change) linmin: converged after 3 iterations. iteration 78: trace = 2.150313167537807 (3.2306e-09% change) linmin: converged after 2 iterations. iteration 79: trace = 2.150313167462389 (3.50734e-09% change) linmin: converged after 2 iterations. iteration 80: trace = 2.150313167392327 (3.25821e-09% change) linmin: converged after 2 iterations. iteration 81: trace = 2.15031316730331 (4.13973e-09% change) linmin: converged after 2 iterations. iteration 82: trace = 2.150313167175039 (5.96519e-09% change) linmin: converged after 3 iterations. iteration 83: trace = 2.15031316705783 (5.4508e-09% change) linmin: converged after 3 iterations. iteration 84: trace = 2.150313166920323 (6.39474e-09% change) linmin: converged after 2 iterations. iteration 85: trace = 2.150313166761463 (7.38774e-09% change) linmin: converged after 3 iterations. iteration 86: trace = 2.15031316666085 (4.67903e-09% change) linmin: converged after 3 iterations. iteration 87: trace = 2.150313166582725 (3.63317e-09% change) linmin: converged after 6 iterations. iteration 88: trace = 2.15031316651657 (3.07653e-09% change) linmin: converged after 2 iterations. iteration 89: trace = 2.150313166476228 (1.8761e-09% change) linmin: converged after 3 iterations. iteration 90: trace = 2.150313166453759 (1.04492e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 2.150313166443038 (4.98567e-10% change) linmin: converged after 4 iterations. iteration 92: trace = 2.150313166437015 (2.80087e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 2.15031316643269 (2.01133e-10% change) linmin: converged after 2 iterations. iteration 94: trace = 2.150313166430584 (9.79539e-11% change) Finished solving for bands 31 to 40 after 94 iterations. Solving for bands 41 to 50... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 8.545615299332889 (191.103% change) linmin: converged after 9 iterations. iteration 2: trace = 3.261177039992308 (89.5152% change) linmin: converged after 6 iterations. iteration 3: trace = 2.73543055029386 (17.5348% change) linmin: converged after 5 iterations. iteration 4: trace = 2.599623160368649 (5.09113% change) linmin: converged after 10 iterations. iteration 5: trace = 2.527777760678661 (2.80241% change) linmin: converged after 7 iterations. iteration 6: trace = 2.486971969060104 (1.62743% change) linmin: converged after 5 iterations. iteration 7: trace = 2.468814621722683 (0.732774% change) linmin: converged after 5 iterations. iteration 8: trace = 2.458529986039818 (0.417451% change) linmin: converged after 5 iterations. iteration 9: trace = 2.452010588666377 (0.265527% change) linmin: converged after 5 iterations. iteration 10: trace = 2.446951931145988 (0.20652% change) linmin: converged after 5 iterations. iteration 11: trace = 2.443000268969135 (0.161624% change) linmin: converged after 4 iterations. iteration 12: trace = 2.440801968206438 (0.0900242% change) linmin: converged after 4 iterations. iteration 13: trace = 2.439651929838819 (0.0471283% change) linmin: converged after 5 iterations. iteration 14: trace = 2.438794401212401 (0.0351558% change) linmin: converged after 5 iterations. iteration 15: trace = 2.438022832522559 (0.0316423% change) linmin: converged after 5 iterations. iteration 16: trace = 2.437314232851858 (0.0290687% change) linmin: converged after 5 iterations. iteration 17: trace = 2.436427453365464 (0.0363901% change) linmin: converged after 5 iterations. iteration 18: trace = 2.435606080931878 (0.0337178% change) linmin: converged after 5 iterations. iteration 19: trace = 2.435080535362489 (0.0215799% change) linmin: converged after 5 iterations. iteration 20: trace = 2.434730914176779 (0.0143587% change) linmin: converged after 5 iterations. iteration 21: trace = 2.434515497284581 (0.00884806% change) linmin: converged after 4 iterations. iteration 22: trace = 2.434390162627746 (0.00514837% change) linmin: converged after 4 iterations. iteration 23: trace = 2.434289946659596 (0.00411676% change) linmin: converged after 4 iterations. iteration 24: trace = 2.434215169974133 (0.00307185% change) linmin: converged after 4 iterations. iteration 25: trace = 2.434151150615009 (0.00263001% change) linmin: converged after 4 iterations. iteration 26: trace = 2.43409938968223 (0.00212647% change) linmin: converged after 4 iterations. iteration 27: trace = 2.434069521531379 (0.00122708% change) linmin: converged after 5 iterations. iteration 28: trace = 2.434051894723912 (0.000724173% change) linmin: converged after 6 iterations. iteration 29: trace = 2.434040921015246 (0.000450842% change) linmin: converged after 7 iterations. iteration 30: trace = 2.434034872364904 (0.000248503% change) linmin: converged after 5 iterations. iteration 31: trace = 2.434031134676087 (0.000153559% change) linmin: converged after 5 iterations. iteration 32: trace = 2.434028967745991 (8.90264e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 2.434027725404177 (5.10406e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 2.434026886595869 (3.44617e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 2.434026138701949 (3.07266e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 2.434025450952502 (2.82556e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 2.434024951062759 (2.05376e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 2.434024674078492 (1.13797e-05% change) linmin: converged after 5 iterations. iteration 39: trace = 2.434024546243021 (5.25202e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 2.434024472713936 (3.02089e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 2.434024422647636 (2.05693e-06% change) linmin: converged after 2 iterations. iteration 42: trace = 2.434024388302575 (1.41104e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 2.434024363248256 (1.02934e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 2.434024345054521 (7.47475e-07% change) linmin: converged after 4 iterations. iteration 45: trace = 2.434024334364033 (4.3921e-07% change) linmin: converged after 4 iterations. iteration 46: trace = 2.434024326949161 (3.04634e-07% change) linmin: converged after 2 iterations. iteration 47: trace = 2.43402432089986 (2.48531e-07% change) linmin: converged after 2 iterations. iteration 48: trace = 2.434024317216924 (1.51311e-07% change) linmin: converged after 22 iterations. iteration 49: trace = 2.434024315167413 (8.42025e-08% change) linmin: converged after 7 iterations. iteration 50: trace = 2.434024314139049 (4.22495e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 2.434024313590406 (2.25406e-08% change) linmin: converged after 7 iterations. iteration 52: trace = 2.434024313235239 (1.45917e-08% change) linmin: converged after 2 iterations. iteration 53: trace = 2.434024312972119 (1.08101e-08% change) linmin: converged after 5 iterations. iteration 54: trace = 2.434024312720114 (1.03534e-08% change) linmin: converged after 3 iterations. iteration 55: trace = 2.434024312512648 (8.52356e-09% change) linmin: converged after 2 iterations. iteration 56: trace = 2.434024312381679 (5.38078e-09% change) linmin: converged after 2 iterations. iteration 57: trace = 2.434024312305542 (3.12801e-09% change) linmin: converged after 3 iterations. iteration 58: trace = 2.434024312262783 (1.75673e-09% change) linmin: converged after 5 iterations. iteration 59: trace = 2.434024312237423 (1.04192e-09% change) linmin: converged after 3 iterations. iteration 60: trace = 2.434024312223 (5.92545e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 2.434024312214697 (3.4111e-10% change) linmin: converged after 3 iterations. iteration 62: trace = 2.434024312208374 (2.59791e-10% change) linmin: converged after 3 iterations. iteration 63: trace = 2.434024312203917 (1.83089e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 2.434024312200632 (1.34977e-10% change) linmin: converged after 2 iterations. iteration 65: trace = 2.43402431219826 (9.74651e-11% change) Finished solving for bands 41 to 50 after 65 iterations. Finished k-point with 80.2 mean iterations/band. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.0904454, 0.0904609, 0.0904609, 0.0944816, 0.190067, 0.190067, 0.190067, 0.190068, 0.19007, 0.190245, 0.190245, 0.203237, 0.237196, 0.237298, 0.237298, 0.240872, 0.246066, 0.246066, 0.246066, 0.257408, 0.267453, 0.26748, 0.26748, 0.279812, 0.3773, 0.423294, 0.423305, 0.426098, 0.426099, 0.460406, 0.460406, 0.460407, 0.460423, 0.460426, 0.46271, 0.462711, 0.465484, 0.465538, 0.469456, 0.469457, 0.469856, 0.474575, 0.480164, 0.480164, 0.490505, 0.499359, 0.49936, 0.511689, 0.51273, 0.51273 elapsed time for k point: 68.1536591053009 total elapsed time for run: 68.25138926506042 done Fixing e-field (band 25) phase by -0.243925 + -0.969794i; max ampl. = 0.816569 Outputting fields to /tmp/meepW1wGQn/test_point_defect_state-0-e.k01.b25.z.tm.h5... Fixing d-field (band 25) phase by -1 + 2.64197e-07i; max ampl. = 3.30563 D-energy-components:, 1, 25, 0, 0, 1 Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.024531841278076172 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396094212364524 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995289 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250459562 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086624281 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.01100301626972375 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179303114 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.01015314587151822 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074297147145 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132158488341 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130040192232 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074094837106 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651739905529 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007444327294638927 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846083289359 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117068364447 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744048117539 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943993000074725 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764800014440515 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187552047344 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578170371529 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994953518142 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329234690063 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389228999884 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565560615005 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783469933158 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164737846908 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.00398883657730818 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194885446615 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126405520783 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039544312473 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940878411894 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.002877900211387613 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.002790051993372632 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730332541914 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677851616175 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.002489458768395538 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426017679957 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940773854802 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482748630576 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.002034811875729456 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048310504839 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001858320506033474 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707942621273 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450548098138 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503971517116 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689303560385 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618740639 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457908972 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456499823373 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847670777 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207644960668 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.001230391785999167 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986363500375 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001152486946250226 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112378290869 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292856854881 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332550894506 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.001045132371396895 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701150871788 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884171684009 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.0008747574385641652 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.000858354465775929 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113275511312 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380190531999 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.000787847721460359 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627298170737 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0007672194414586536 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123536060246 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232468401547 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007201718792841101 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040628958248 (5.44408% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704251040093 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027054159191 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0004903658441885908 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272310935805 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356678487719 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004549395879862526 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602131467834 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389663878327 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305335036841 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.000442607424283671 (0.095549% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008036336788 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.0004357919422832274 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.0004324623296707386 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.0004322890730248426 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775597677834 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004264886190376669 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.0004234535785839033 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426025622787 (0.0498351% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004217579218213627 (0.351404% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658762800969 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438050150019 (0.26703% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306122007773 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953844890651 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102369051 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146477937412 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210654671987 (0.118317% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953517312714 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835437154665 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547360924156 (0.0309619% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047429834 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861672828103 (0.00809171% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.0004150157697813681 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907927256863 (0.00601852% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628361570545 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394187443882 (0.00564614% change) large trace change predicted (0.0338927%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939266652 (0.0338884% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269681072 (0.00158394% change) large trace change predicted (0.0368809%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394958443355 (0.0368698% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526194069 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.0004143003725807271 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990227138 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401037545 (0.040887% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257883945192 (0.000519577% change) large trace change predicted (0.00468264%) linmin: converged after 3 iterations. iteration 115: trace = 0.000414106398756546 (0.00468217% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004141042373944077 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.0004140291493146046 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.000414027775820787 (0.000331739% change) large trace change predicted (0.00913412%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899443883706 (0.00913783% change) linmin: converged after 2 iterations. iteration 120: trace = 0.000413987345092583 (0.000627866% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722344974524 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689703767627 (0.000788491% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004139446555700596 (0.00587375% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004139442371771171 (0.000101075% change) large trace change predicted (0.000893308%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390502047 (0.000893392% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541892433 (0.000576138% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539572459 (0.000748963% change) linmin: converged after 2 iterations. iteration 128: trace = 0.000413934927310213 (3.05959e-05% change) large trace change predicted (0.000511257%) linmin: converged after 2 iterations. iteration 129: trace = 0.0004139328107944552 (0.000511317% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232512266 (0.000238576% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983426415 (0.000320079% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263362496 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212288299 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694243729 (3.6674e-05% change) large trace change predicted (0.000224737%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391432438 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056151961 (0.000225529% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559419473 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207777231 (8.49528e-06% change) large trace change predicted (7.61596e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0004139261055335452 (7.61595e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.000413925868108954 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431674068 (6.02561e-06% change) large trace change predicted (7.23446e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437175156 (7.23439e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894459624 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.000413924979212717 (2.47225e-06% change) large trace change predicted (7.06563e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867591116 (7.06538e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.0004139245182543239 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850599 (1.75803e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240451432 (5.17967e-06% change) large trace change predicted (4.81329e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248158139 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693341982 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619714 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.000413923952211536 (2.88711e-06% change) large trace change predicted (2.76653e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376982218 (2.76653e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.000413923778238843 (1.43648e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952652 (2.22368e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797093291 (1.56694e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611116 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190765629 (2.26722e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391676 (6.13011e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 1.828242540359497 total elapsed time for run: 1.8528923988342285 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.020446300506591797 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396094212364524 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995289 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250459562 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086624281 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.01100301626972375 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179303114 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.01015314587151822 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074297147145 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132158488341 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130040192232 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074094837106 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651739905529 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007444327294638927 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846083289359 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117068364447 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744048117539 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943993000074725 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764800014440515 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187552047344 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578170371529 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994953518142 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329234690063 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389228999884 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565560615005 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783469933158 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164737846908 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.00398883657730818 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194885446615 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126405520783 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039544312473 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940878411894 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.002877900211387613 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.002790051993372632 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730332541914 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677851616175 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.002489458768395538 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426017679957 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940773854802 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482748630576 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.002034811875729456 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048310504839 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001858320506033474 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707942621273 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450548098138 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503971517116 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689303560385 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618740639 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457908972 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456499823373 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847670777 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207644960668 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.001230391785999167 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986363500375 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001152486946250226 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112378290869 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292856854881 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332550894506 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.001045132371396895 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701150871788 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884171684009 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.0008747574385641652 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.000858354465775929 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113275511312 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380190531999 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.000787847721460359 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627298170737 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0007672194414586536 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123536060246 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232468401547 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007201718792841101 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040628958248 (5.44408% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704251040093 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027054159191 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0004903658441885908 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272310935805 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356678487719 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004549395879862526 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602131467834 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389663878327 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305335036841 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.000442607424283671 (0.095549% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008036336788 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.0004357919422832274 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.0004324623296707386 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.0004322890730248426 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775597677834 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004264886190376669 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.0004234535785839033 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426025622787 (0.0498351% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004217579218213627 (0.351404% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658762800969 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438050150019 (0.26703% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306122007773 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953844890651 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102369051 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146477937412 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210654671987 (0.118317% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953517312714 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835437154665 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547360924156 (0.0309619% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047429834 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861672828103 (0.00809171% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.0004150157697813681 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907927256863 (0.00601852% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628361570545 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394187443882 (0.00564614% change) large trace change predicted (0.0338927%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939266652 (0.0338884% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269681072 (0.00158394% change) large trace change predicted (0.0368809%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394958443355 (0.0368698% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526194069 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.0004143003725807271 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990227138 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401037545 (0.040887% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257883945192 (0.000519577% change) large trace change predicted (0.00468264%) linmin: converged after 3 iterations. iteration 115: trace = 0.000414106398756546 (0.00468217% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004141042373944077 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.0004140291493146046 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.000414027775820787 (0.000331739% change) large trace change predicted (0.00913412%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899443883706 (0.00913783% change) linmin: converged after 2 iterations. iteration 120: trace = 0.000413987345092583 (0.000627866% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722344974524 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689703767627 (0.000788491% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004139446555700596 (0.00587375% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004139442371771171 (0.000101075% change) large trace change predicted (0.000893308%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390502047 (0.000893392% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541892433 (0.000576138% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539572459 (0.000748963% change) linmin: converged after 2 iterations. iteration 128: trace = 0.000413934927310213 (3.05959e-05% change) large trace change predicted (0.000511257%) linmin: converged after 2 iterations. iteration 129: trace = 0.0004139328107944552 (0.000511317% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232512266 (0.000238576% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983426415 (0.000320079% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263362496 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212288299 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694243729 (3.6674e-05% change) large trace change predicted (0.000224737%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391432438 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056151961 (0.000225529% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559419473 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207777231 (8.49528e-06% change) large trace change predicted (7.61596e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0004139261055335452 (7.61595e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.000413925868108954 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431674068 (6.02561e-06% change) large trace change predicted (7.23446e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437175156 (7.23439e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894459624 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.000413924979212717 (2.47225e-06% change) large trace change predicted (7.06563e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867591116 (7.06538e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.0004139245182543239 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850599 (1.75803e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240451432 (5.17967e-06% change) large trace change predicted (4.81329e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248158139 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693341982 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619714 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.000413923952211536 (2.88711e-06% change) large trace change predicted (2.76653e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376982218 (2.76653e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.000413923778238843 (1.43648e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952652 (2.22368e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797093291 (1.56694e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611116 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190765629 (2.26722e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391676 (6.13011e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 1.8244552612304688 total elapsed time for run: 1.8449952602386475 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.020831584930419922 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139704128560643 (199.998% change) linmin: converged after 5 iterations. iteration 2: trace = 0.01325247935111978 (5.27448% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01309864585223144 (1.16757% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01180419769829509 (10.396% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0109217108498446 (7.76635% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01048323620435261 (4.09695% change) linmin: converged after 6 iterations. iteration 7: trace = 0.01024244099169793 (2.32364% change) linmin: converged after 9 iterations. iteration 8: trace = 0.009296726181399335 (9.6802% change) linmin: converged after 5 iterations. iteration 9: trace = 0.00909254924973645 (2.22061% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008877950456016276 (2.38835% change) linmin: converged after 6 iterations. iteration 11: trace = 0.008191259876311851 (8.04596% change) linmin: converged after 4 iterations. iteration 12: trace = 0.008096286455996636 (1.16621% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00798024565483927 (1.4436% change) linmin: converged after 6 iterations. iteration 14: trace = 0.007633080389829419 (4.44704% change) linmin: converged after 4 iterations. iteration 15: trace = 0.007551101189067491 (1.0798% change) linmin: converged after 3 iterations. iteration 16: trace = 0.007469146928025515 (1.09125% change) large trace change predicted (3.9796%) linmin: converged after 6 iterations. iteration 17: trace = 0.007061705119517128 (5.60795% change) linmin: converged after 4 iterations. iteration 18: trace = 0.006903078385376763 (2.27181% change) linmin: converged after 4 iterations. iteration 19: trace = 0.006883599985020987 (0.282568% change) large trace change predicted (0.911153%) linmin: converged after 4 iterations. iteration 20: trace = 0.006815255177531527 (0.997818% change) large trace change predicted (3.64606%) linmin: converged after 6 iterations. iteration 21: trace = 0.006414667863752095 (6.05578% change) linmin: converged after 5 iterations. iteration 22: trace = 0.006179070462637304 (3.7415% change) linmin: converged after 3 iterations. iteration 23: trace = 0.006123365666413288 (0.90559% change) large trace change predicted (1.96323%) linmin: converged after 4 iterations. iteration 24: trace = 0.005987920413389705 (2.23668% change) linmin: converged after 5 iterations. iteration 25: trace = 0.005770458876985926 (3.69884% change) linmin: converged after 3 iterations. iteration 26: trace = 0.005717242845729311 (0.926487% change) linmin: converged after 3 iterations. iteration 27: trace = 0.005689514765115209 (0.486169% change) large trace change predicted (2.33743%) linmin: converged after 5 iterations. iteration 28: trace = 0.005515593855598485 (3.10431% change) linmin: converged after 5 iterations. iteration 29: trace = 0.004998906369560729 (9.82809% change) linmin: converged after 6 iterations. iteration 30: trace = 0.004775022746084919 (4.58124% change) linmin: converged after 3 iterations. iteration 31: trace = 0.004746932746196626 (0.590005% change) linmin: converged after 3 iterations. iteration 32: trace = 0.00470428624898074 (0.902455% change) large trace change predicted (2.70435%) linmin: converged after 4 iterations. iteration 33: trace = 0.004559634267774721 (3.12291% change) linmin: converged after 3 iterations. iteration 34: trace = 0.004505785234934228 (1.18801% change) linmin: converged after 4 iterations. iteration 35: trace = 0.004486716277912645 (0.424108% change) large trace change predicted (1.65013%) linmin: converged after 4 iterations. iteration 36: trace = 0.004403659935258717 (1.86846% change) linmin: converged after 5 iterations. iteration 37: trace = 0.004276526815385399 (2.92927% change) linmin: converged after 3 iterations. iteration 38: trace = 0.004241792311230355 (0.815525% change) linmin: converged after 3 iterations. iteration 39: trace = 0.004212672878189981 (0.688853% change) large trace change predicted (2.6159%) linmin: converged after 5 iterations. iteration 40: trace = 0.004078307839433111 (3.24123% change) linmin: converged after 5 iterations. iteration 41: trace = 0.003921854172266351 (3.91126% change) linmin: converged after 3 iterations. iteration 42: trace = 0.003887258230382996 (0.88604% change) linmin: converged after 4 iterations. iteration 43: trace = 0.003877595631205378 (0.24888% change) large trace change predicted (0.564259%) linmin: converged after 3 iterations. iteration 44: trace = 0.003854774509117293 (0.590275% change) linmin: converged after 4 iterations. iteration 45: trace = 0.003806743758879236 (1.25382% change) linmin: converged after 3 iterations. iteration 46: trace = 0.003784645770534115 (0.582186% change) linmin: converged after 4 iterations. iteration 47: trace = 0.003772030282681972 (0.33389% change) large trace change predicted (1.10169%) linmin: converged after 3 iterations. iteration 48: trace = 0.003727677192148529 (1.1828% change) large trace change predicted (2.54483%) linmin: converged after 5 iterations. iteration 49: trace = 0.003617159141922316 (3.00941% change) linmin: converged after 4 iterations. iteration 50: trace = 0.003566314304980491 (1.41561% change) linmin: converged after 3 iterations. iteration 51: trace = 0.003555267781813522 (0.310227% change) linmin: converged after 3 iterations. iteration 52: trace = 0.0035447729307134 (0.295628% change) large trace change predicted (0.882197%) linmin: converged after 4 iterations. iteration 53: trace = 0.003511336163461757 (0.94774% change) linmin: converged after 4 iterations. iteration 54: trace = 0.003474290018581693 (1.06064% change) linmin: converged after 3 iterations. iteration 55: trace = 0.003461055304306731 (0.38166% change) linmin: converged after 3 iterations. iteration 56: trace = 0.003450064076424614 (0.318074% change) large trace change predicted (0.959984%) linmin: converged after 4 iterations. iteration 57: trace = 0.003414599750448513 (1.03324% change) linmin: converged after 4 iterations. iteration 58: trace = 0.003355264791848629 (1.75291% change) linmin: converged after 3 iterations. iteration 59: trace = 0.003328832118606323 (0.790912% change) linmin: converged after 3 iterations. iteration 60: trace = 0.003316361826664715 (0.375318% change) large trace change predicted (0.782533%) linmin: converged after 3 iterations. iteration 61: trace = 0.003288989405366063 (0.828795% change) large trace change predicted (1.92333%) linmin: converged after 4 iterations. iteration 62: trace = 0.003216637088492564 (2.2243% change) linmin: converged after 4 iterations. iteration 63: trace = 0.00316332888887195 (1.67111% change) linmin: converged after 3 iterations. iteration 64: trace = 0.003147796524264338 (0.492222% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0031387350197132 (0.288283% change) large trace change predicted (0.631443%) linmin: converged after 3 iterations. iteration 66: trace = 0.003117908287876198 (0.665748% change) linmin: converged after 4 iterations. iteration 67: trace = 0.003080073611537015 (1.22087% change) linmin: converged after 3 iterations. iteration 68: trace = 0.003057130980075077 (0.747657% change) linmin: converged after 3 iterations. iteration 69: trace = 0.003044853183140589 (0.40242% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.003040645553761316 (0.138284% change) large trace change predicted (0.662844%) linmin: converged after 3 iterations. iteration 71: trace = 0.003020737913521082 (0.656868% change) large trace change predicted (3.15233%) linmin: converged after 4 iterations. iteration 72: trace = 0.002929305667459083 (3.07333% change) linmin: converged after 3 iterations. iteration 73: trace = 0.002880127581708854 (1.69304% change) large trace change predicted (4.94794%) linmin: converged after 4 iterations. iteration 74: trace = 0.002741582967236932 (4.92891% change) linmin: converged after 4 iterations. iteration 75: trace = 0.002701516927166132 (1.47218% change) linmin: converged after 3 iterations. iteration 76: trace = 0.002680059246297529 (0.79745% change) linmin: converged after 3 iterations. iteration 77: trace = 0.002654711663922691 (0.950278% change) linmin: converged after 4 iterations. iteration 78: trace = 0.002633953154966312 (0.785019% change) linmin: converged after 4 iterations. iteration 79: trace = 0.002632703149868148 (0.0474686% change) large trace change predicted (1.11881%) linmin: converged after 3 iterations. iteration 80: trace = 0.00260351090849789 (1.11501% change) linmin: converged after 4 iterations. iteration 81: trace = 0.002602852951100421 (0.0252751% change) large trace change predicted (1.98243%) linmin: converged after 4 iterations. iteration 82: trace = 0.002546719623632539 (2.18012% change) linmin: converged after 4 iterations. iteration 83: trace = 0.002545931325934789 (0.0309582% change) large trace change predicted (0.28249%) linmin: converged after 4 iterations. iteration 84: trace = 0.002538665650571026 (0.285792% change) linmin: converged after 4 iterations. iteration 85: trace = 0.002531307083072488 (0.29028% change) linmin: converged after 4 iterations. iteration 86: trace = 0.002525454518334165 (0.231475% change) linmin: converged after 4 iterations. iteration 87: trace = 0.002519246691184592 (0.246113% change) linmin: converged after 4 iterations. iteration 88: trace = 0.002518419308559772 (0.0328479% change) large trace change predicted (0.184395%) linmin: converged after 4 iterations. iteration 89: trace = 0.002513730250588537 (0.186364% change) linmin: converged after 4 iterations. iteration 90: trace = 0.002512968998802239 (0.0302883% change) large trace change predicted (0.217796%) linmin: converged after 4 iterations. iteration 91: trace = 0.002507432797567945 (0.220548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.002507213225678467 (0.00875722% change) large trace change predicted (0.5147%) linmin: converged after 4 iterations. iteration 93: trace = 0.002493995010840282 (0.528601% change) linmin: converged after 4 iterations. iteration 94: trace = 0.002493329897584919 (0.0266721% change) large trace change predicted (1.39143%) linmin: converged after 4 iterations. iteration 95: trace = 0.002455039003662336 (1.54762% change) linmin: converged after 3 iterations. iteration 96: trace = 0.002452511871166364 (0.10299% change) large trace change predicted (0.991276%) linmin: converged after 4 iterations. iteration 97: trace = 0.00242513045694451 (1.12273% change) linmin: converged after 3 iterations. iteration 98: trace = 0.002414082463069953 (0.456603% change) large trace change predicted (2.45505%) linmin: converged after 6 iterations. iteration 99: trace = 0.002329261438723021 (3.57642% change) linmin: converged after 3 iterations. iteration 100: trace = 0.002325777946614456 (0.149665% change) large trace change predicted (2.34227%) linmin: converged after 6 iterations. iteration 101: trace = 0.00222989709098292 (4.20929% change) linmin: converged after 3 iterations. iteration 102: trace = 0.002223845138499192 (0.271769% change) large trace change predicted (1.18253%) linmin: converged after 6 iterations. iteration 103: trace = 0.002188150134735358 (1.61809% change) linmin: converged after 3 iterations. iteration 104: trace = 0.002182874759551095 (0.241379% change) large trace change predicted (0.876822%) linmin: converged after 5 iterations. iteration 105: trace = 0.002159129122824269 (1.09376% change) linmin: converged after 6 iterations. iteration 106: trace = 0.002089786148456406 (3.26403% change) linmin: converged after 4 iterations. iteration 107: trace = 0.002082927073349319 (0.328759% change) large trace change predicted (0.745454%) linmin: converged after 5 iterations. iteration 108: trace = 0.00206449629561184 (0.888782% change) linmin: converged after 5 iterations. iteration 109: trace = 0.002041753064225574 (1.10774% change) linmin: converged after 3 iterations. iteration 110: trace = 0.002039571456779651 (0.106907% change) large trace change predicted (0.360866%) linmin: converged after 4 iterations. iteration 111: trace = 0.002031622908683052 (0.390477% change) large trace change predicted (1.05067%) linmin: converged after 5 iterations. iteration 112: trace = 0.002004428309457001 (1.34758% change) linmin: converged after 3 iterations. iteration 113: trace = 0.001999407690258647 (0.25079% change) linmin: converged after 3 iterations. iteration 114: trace = 0.001995360217123993 (0.202639% change) large trace change predicted (0.94685%) linmin: converged after 5 iterations. iteration 115: trace = 0.001971823706946577 (1.18656% change) linmin: converged after 4 iterations. iteration 116: trace = 0.00196209565208422 (0.494573% change) linmin: converged after 3 iterations. iteration 117: trace = 0.001959076232975113 (0.154006% change) large trace change predicted (0.748968%) linmin: converged after 5 iterations. iteration 118: trace = 0.001941712260636657 (0.89028% change) linmin: converged after 5 iterations. iteration 119: trace = 0.001923375455247553 (0.948843% change) linmin: converged after 3 iterations. iteration 120: trace = 0.00192055629050516 (0.146681% change) linmin: converged after 3 iterations. iteration 121: trace = 0.001918029904239404 (0.131631% change) large trace change predicted (0.549968%) linmin: converged after 4 iterations. iteration 122: trace = 0.001906201764066668 (0.618589% change) linmin: converged after 4 iterations. iteration 123: trace = 0.001898499556263163 (0.404878% change) linmin: converged after 3 iterations. iteration 124: trace = 0.001896557444990288 (0.10235% change) large trace change predicted (0.277058%) linmin: converged after 3 iterations. iteration 125: trace = 0.001891002123049045 (0.293346% change) large trace change predicted (0.718159%) linmin: converged after 5 iterations. iteration 126: trace = 0.001875212217784793 (0.838503% change) linmin: converged after 3 iterations. iteration 127: trace = 0.001869456091381936 (0.307431% change) linmin: converged after 3 iterations. iteration 128: trace = 0.001867923186327051 (0.082031% change) large trace change predicted (0.22535%) linmin: converged after 3 iterations. iteration 129: trace = 0.001863513860726933 (0.236334% change) large trace change predicted (0.500516%) linmin: converged after 4 iterations. iteration 130: trace = 0.001853142200654553 (0.558118% change) linmin: converged after 3 iterations. iteration 131: trace = 0.001849375851505437 (0.203448% change) linmin: converged after 3 iterations. iteration 132: trace = 0.001848037513901127 (0.0723932% change) large trace change predicted (0.207881%) linmin: converged after 3 iterations. iteration 133: trace = 0.001844026889851096 (0.217256% change) linmin: converged after 4 iterations. iteration 134: trace = 0.001836311614624278 (0.41927% change) linmin: converged after 3 iterations. iteration 135: trace = 0.001833761467715939 (0.13897% change) linmin: converged after 3 iterations. iteration 136: trace = 0.001832871783699667 (0.0485287% change) large trace change predicted (0.135932%) linmin: converged after 3 iterations. iteration 137: trace = 0.001830312038247237 (0.139755% change) large trace change predicted (0.311765%) linmin: converged after 4 iterations. iteration 138: trace = 0.001824235925667271 (0.332523% change) linmin: converged after 3 iterations. iteration 139: trace = 0.001821681785287121 (0.14011% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 0.001821340977020076 (0.0187102% change) large trace change predicted (0.0804528%) linmin: converged after 3 iterations. iteration 141: trace = 0.001819877064143844 (0.0804079% change) large trace change predicted (0.409916%) linmin: converged after 3 iterations. iteration 142: trace = 0.001812499501317665 (0.406211% change) linmin: converged after 3 iterations. iteration 143: trace = 0.001811454518982839 (0.0576708% change) large trace change predicted (0.477167%) linmin: converged after 4 iterations. iteration 144: trace = 0.001802735964245677 (0.482462% change) linmin: converged after 2 iterations. iteration 145: trace = 0.00180252812926785 (0.0115295% change) large trace change predicted (0.204614%) linmin: converged after 4 iterations. iteration 146: trace = 0.001798817730789834 (0.206056% change) linmin: converged after 2 iterations. iteration 147: trace = 0.001797914790339972 (0.0502089% change) linmin: converged after 2 iterations. iteration 148: trace = 0.001797855061887563 (0.00332215% change) large trace change predicted (0.0666456%) linmin: converged after 3 iterations. iteration 149: trace = 0.001796663044848663 (0.0663242% change) linmin: converged after 2 iterations. iteration 150: trace = 0.00179655412253425 (0.00606266% change) large trace change predicted (0.033986%) linmin: converged after 3 iterations. iteration 151: trace = 0.001795941682000361 (0.0340955% change) linmin: converged after 3 iterations. iteration 152: trace = 0.001795556193413489 (0.0214667% change) linmin: converged after 2 iterations. iteration 153: trace = 0.001795537946468177 (0.00101623% change) large trace change predicted (0.0137742%) linmin: converged after 3 iterations. iteration 154: trace = 0.001795291078520249 (0.0137499% change) linmin: converged after 3 iterations. iteration 155: trace = 0.001795240452319295 (0.00281998% change) linmin: converged after 3 iterations. iteration 156: trace = 0.001795226987863803 (0.000750011% change) large trace change predicted (0.00308087%) linmin: converged after 3 iterations. iteration 157: trace = 0.001795171693738061 (0.00308011% change) linmin: converged after 2 iterations. iteration 158: trace = 0.001795171107872158 (3.26357e-05% change) large trace change predicted (0.000971063%) linmin: converged after 2 iterations. iteration 159: trace = 0.001795153665880959 (0.000971611% change) linmin: converged after 2 iterations. iteration 160: trace = 0.001795145309743398 (0.000465484% change) linmin: converged after 2 iterations. iteration 161: trace = 0.001795139653138743 (0.000315106% change) linmin: converged after 2 iterations. iteration 162: trace = 0.001795132316396148 (0.000408701% change) linmin: converged after 2 iterations. iteration 163: trace = 0.001795130761194543 (8.66344e-05% change) large trace change predicted (0.000263289%) linmin: converged after 2 iterations. iteration 164: trace = 0.001795126034812309 (0.000263289% change) linmin: converged after 2 iterations. iteration 165: trace = 0.001795120368142543 (0.00031567% change) linmin: converged after 2 iterations. iteration 166: trace = 0.001795120265516134 (5.71697e-06% change) large trace change predicted (0.000128194%) linmin: converged after 2 iterations. iteration 167: trace = 0.001795117964380231 (0.000128188% change) linmin: converged after 2 iterations. iteration 168: trace = 0.001795116608911521 (7.55086e-05% change) linmin: converged after 2 iterations. iteration 169: trace = 0.001795116278359221 (1.8414e-05% change) large trace change predicted (0.000128111%) linmin: converged after 2 iterations. iteration 170: trace = 0.001795113978636292 (0.00012811% change) linmin: converged after 2 iterations. iteration 171: trace = 0.001795113633485165 (1.92273e-05% change) large trace change predicted (0.000217275%) linmin: converged after 2 iterations. iteration 172: trace = 0.001795109733047441 (0.000217281% change) linmin: converged after 2 iterations. iteration 173: trace = 0.001795108024749665 (9.5164e-05% change) linmin: converged after 2 iterations. iteration 174: trace = 0.001795107713859551 (1.73187e-05% change) linmin: converged after 2 iterations. iteration 175: trace = 0.001795107475575635 (1.32741e-05% change) linmin: converged after 2 iterations. iteration 176: trace = 0.001795107189118694 (1.59576e-05% change) large trace change predicted (4.80657e-05%) linmin: converged after 2 iterations. iteration 177: trace = 0.001795106326173888 (4.80721e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 0.001795105301163704 (5.71003e-05% change) linmin: converged after 2 iterations. iteration 179: trace = 0.001795105257127407 (2.45313e-06% change) large trace change predicted (6.13334e-05%) linmin: converged after 2 iterations. iteration 180: trace = 0.001795104156148465 (6.13323e-05% change) linmin: converged after 2 iterations. iteration 181: trace = 0.001795103906898838 (1.3885e-05% change) linmin: converged after 2 iterations. iteration 182: trace = 0.001795103753578851 (8.54101e-06% change) large trace change predicted (2.98372e-05%) linmin: converged after 2 iterations. iteration 183: trace = 0.001795103217903831 (2.98409e-05% change) linmin: converged after 2 iterations. iteration 184: trace = 0.001795103166254597 (2.87723e-06% change) large trace change predicted (3.004e-05%) linmin: converged after 3 iterations. iteration 185: trace = 0.001795102627068087 (3.00365e-05% change) linmin: converged after 2 iterations. iteration 186: trace = 0.00179510252346666 (5.77134e-06% change) linmin: converged after 1 iterations. iteration 187: trace = 0.00179510251460829 (4.93474e-07% change) Finished solving for bands 1 to 1 after 187 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.282209 elapsed time for k point: 2.139740467071533 total elapsed time for run: 2.1606528759002686 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.020727157592773438 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.013963968885107 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327343044449466 (5.07052% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01314818569010376 (0.948048% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114184657882744 (14.0819% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01061430622937872 (7.29967% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01023471071196281 (3.64138% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009988837075704997 (2.43156% change) linmin: converged after 7 iterations. iteration 8: trace = 0.009059508094092101 (9.75758% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008774558877228238 (3.19556% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008664466957161171 (1.26259% change) large trace change predicted (5.16734%) linmin: converged after 8 iterations. iteration 11: trace = 0.007650222378768285 (12.4335% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007407584235868004 (3.22276% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007287287721370469 (1.63726% change) large trace change predicted (4.46443%) linmin: converged after 8 iterations. iteration 14: trace = 0.006585376156715501 (10.1193% change) linmin: converged after 5 iterations. iteration 15: trace = 0.006385665995911306 (3.07932% change) linmin: converged after 5 iterations. iteration 16: trace = 0.006173327684031773 (3.38145% change) large trace change predicted (7.03964%) linmin: converged after 6 iterations. iteration 17: trace = 0.005372344447150787 (13.875% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005203493896241678 (3.19314% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005158140160516331 (0.875417% change) large trace change predicted (7.03307%) linmin: converged after 6 iterations. iteration 20: trace = 0.004551124706235257 (12.5038% change) linmin: converged after 6 iterations. iteration 21: trace = 0.004053087733981016 (11.5766% change) linmin: converged after 4 iterations. iteration 22: trace = 0.003982686104513308 (1.75221% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00385111851375188 (3.35897% change) linmin: converged after 6 iterations. iteration 24: trace = 0.003554514950128614 (8.01021% change) linmin: converged after 4 iterations. iteration 25: trace = 0.003482282941041789 (2.05298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.003443376782506791 (1.12354% change) large trace change predicted (5.80293%) linmin: converged after 6 iterations. iteration 27: trace = 0.003167191653507502 (8.35587% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002727294773779849 (14.9257% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002614089198350033 (4.23881% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002578888610930927 (1.3557% change) large trace change predicted (3.42483%) linmin: converged after 4 iterations. iteration 31: trace = 0.002480493356251657 (3.88962% change) linmin: converged after 4 iterations. iteration 32: trace = 0.002367651132985473 (4.65507% change) linmin: converged after 3 iterations. iteration 33: trace = 0.002337966297029572 (1.26168% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002309522256861661 (1.22406% change) large trace change predicted (5.26705%) linmin: converged after 5 iterations. iteration 35: trace = 0.002163759017483962 (6.51706% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001939452304803301 (10.9332% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001869572230022599 (3.66918% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001846153068873675 (1.26054% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001797037323896966 (2.6963% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001701311179775372 (5.47265% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001657879763083996 (2.58583% change) linmin: converged after 3 iterations. iteration 42: trace = 0.00164373137704168 (0.85706% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001620701965206587 (1.41093% change) large trace change predicted (3.46706%) linmin: converged after 4 iterations. iteration 44: trace = 0.001559215156952707 (3.8672% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001512999776482773 (3.0086% change) linmin: converged after 3 iterations. iteration 46: trace = 0.001497753787336192 (1.01277% change) linmin: converged after 3 iterations. iteration 47: trace = 0.00148259147343667 (1.01749% change) large trace change predicted (3.11595%) linmin: converged after 3 iterations. iteration 48: trace = 0.00143349609390808 (3.36721% change) linmin: converged after 4 iterations. iteration 49: trace = 0.00135763797305436 (5.43565% change) linmin: converged after 3 iterations. iteration 50: trace = 0.001326948326810867 (2.28636% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001316932853666169 (0.757634% change) linmin: converged after 4 iterations. iteration 52: trace = 0.001304998593556589 (0.910341% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001282234360755921 (1.75974% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001266870293558852 (1.20545% change) linmin: converged after 4 iterations. iteration 55: trace = 0.001261655054987421 (0.412512% change) linmin: converged after 4 iterations. iteration 56: trace = 0.001256779863386187 (0.38716% change) large trace change predicted (1.2699%) linmin: converged after 3 iterations. iteration 57: trace = 0.001240453870885162 (1.30753% change) large trace change predicted (2.87445%) linmin: converged after 3 iterations. iteration 58: trace = 0.001202896860412617 (3.07422% change) linmin: converged after 3 iterations. iteration 59: trace = 0.001179735208782097 (1.94421% change) linmin: converged after 4 iterations. iteration 60: trace = 0.001172296235986339 (0.632557% change) linmin: converged after 4 iterations. iteration 61: trace = 0.001166242359724903 (0.517749% change) large trace change predicted (1.07992%) linmin: converged after 3 iterations. iteration 62: trace = 0.001153409487717724 (1.10645% change) linmin: converged after 3 iterations. iteration 63: trace = 0.001139191286258365 (1.24036% change) linmin: converged after 4 iterations. iteration 64: trace = 0.001133617688688983 (0.490459% change) linmin: converged after 4 iterations. iteration 65: trace = 0.001130985118690562 (0.232497% change) linmin: converged after 4 iterations. iteration 66: trace = 0.001126199418164632 (0.424042% change) large trace change predicted (1.0217%) linmin: converged after 4 iterations. iteration 67: trace = 0.001114492081983751 (1.04498% change) linmin: converged after 4 iterations. iteration 68: trace = 0.001104425130405326 (0.907375% change) linmin: converged after 4 iterations. iteration 69: trace = 0.001100671902352783 (0.340414% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.001099857642966697 (0.0740058% change) large trace change predicted (0.448655%) linmin: converged after 3 iterations. iteration 71: trace = 0.001094930579152866 (0.448979% change) linmin: converged after 3 iterations. iteration 72: trace = 0.001092058041037746 (0.262693% change) large trace change predicted (1.1343%) linmin: converged after 3 iterations. iteration 73: trace = 0.001079697301943813 (1.13832% change) linmin: converged after 3 iterations. iteration 74: trace = 0.001075945706010421 (0.348072% change) large trace change predicted (5.69647%) linmin: converged after 3 iterations. iteration 75: trace = 0.001015472061312231 (5.78303% change) linmin: converged after 4 iterations. iteration 76: trace = 0.001011722488241211 (0.369927% change) linmin: converged after 2 iterations. iteration 77: trace = 0.001006696724639353 (0.49799% change) linmin: converged after 3 iterations. iteration 78: trace = 0.001006471831576991 (0.0223422% change) large trace change predicted (0.321601%) linmin: converged after 3 iterations. iteration 79: trace = 0.001003240532944381 (0.321568% change) large trace change predicted (0.843447%) linmin: converged after 3 iterations. iteration 80: trace = 0.0009948316941738062 (0.841695% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0009932059482025244 (0.163553% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0009920100956339606 (0.120476% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0009909098472241805 (0.110973% change) large trace change predicted (0.343974%) linmin: converged after 3 iterations. iteration 84: trace = 0.0009875186028344785 (0.342822% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0009868351271943329 (0.0692354% change) large trace change predicted (0.23392%) linmin: converged after 3 iterations. iteration 86: trace = 0.0009845322568611786 (0.233632% change) linmin: converged after 3 iterations. iteration 87: trace = 0.000983264445703084 (0.128856% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0009830636446446729 (0.020424% change) large trace change predicted (0.143137%) linmin: converged after 4 iterations. iteration 89: trace = 0.0009816542877263685 (0.143467% change) linmin: converged after 4 iterations. iteration 90: trace = 0.0009807285600294949 (0.0943473% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0009801262096658888 (0.0614375% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0009797003662761503 (0.0434573% change) large trace change predicted (0.150715%) linmin: converged after 4 iterations. iteration 93: trace = 0.0009782177342184636 (0.15145% change) linmin: converged after 4 iterations. iteration 94: trace = 0.0009773746219150479 (0.0862258% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0009769392448657176 (0.0445555% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0009766854231878939 (0.0259847% change) large trace change predicted (0.0932274%) linmin: converged after 4 iterations. iteration 97: trace = 0.0009757710907699822 (0.0936597% change) linmin: converged after 4 iterations. iteration 98: trace = 0.000974760338555784 (0.103639% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0009746951131747084 (0.00669165% change) large trace change predicted (0.066841%) linmin: converged after 4 iterations. iteration 100: trace = 0.0009740429646620392 (0.0669303% change) linmin: converged after 2 iterations. iteration 101: trace = 0.000973903058005029 (0.0143645% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0009736734114932775 (0.0235828% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0009736547111676865 (0.00192061% change) large trace change predicted (0.0320894%) linmin: converged after 4 iterations. iteration 104: trace = 0.0009733419668097575 (0.0321258% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0009731524760080606 (0.01947% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0009729383974930189 (0.0220009% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0009728422982554449 (0.0098777% change) linmin: converged after 2 iterations. iteration 108: trace = 0.000972773850866817 (0.00703606% change) linmin: converged after 2 iterations. iteration 109: trace = 0.000972719931885117 (0.00554296% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0009727001609084917 (0.00203257% change) large trace change predicted (0.00486823%) linmin: converged after 2 iterations. iteration 111: trace = 0.0009726527881008602 (0.00487036% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0009726459001027629 (0.000708169% change) large trace change predicted (0.0028796%) linmin: converged after 2 iterations. iteration 113: trace = 0.0009726178782572127 (0.00288103% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0009726136550699866 (0.000434209% change) large trace change predicted (0.0044832%) linmin: converged after 2 iterations. iteration 115: trace = 0.0009725700210455614 (0.00448637% change) linmin: converged after 3 iterations. iteration 116: trace = 0.0009725477186031205 (0.00229317% change) linmin: converged after 3 iterations. iteration 117: trace = 0.000972516999383496 (0.00315868% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0009725054398543774 (0.00118863% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0009724922314134593 (0.0013582% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0009724858987555277 (0.00065118% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0009724828068150147 (0.000317942% change) large trace change predicted (0.000766325%) linmin: converged after 2 iterations. iteration 122: trace = 0.0009724753544886794 (0.000766323% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0009724751391760993 (2.21407e-05% change) large trace change predicted (0.000487741%) linmin: converged after 3 iterations. iteration 124: trace = 0.0009724703967832162 (0.000487663% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0009724695722731821 (8.47851e-05% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0009724686023173741 (9.97416e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0009724683963285632 (2.11821e-05% change) large trace change predicted (0.000182956%) linmin: converged after 2 iterations. iteration 128: trace = 0.0009724666170982518 (0.00018296% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0009724665630290337 (5.56001e-06% change) large trace change predicted (8.58149e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0009724657284832443 (8.58175e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0009724651010358791 (6.45213e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.00097246462478072 (4.8974e-05% change) large trace change predicted (0.000202977%) linmin: converged after 2 iterations. iteration 133: trace = 0.0009724626509300643 (0.000202974% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0009724620375443933 (6.30755e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0009724615331304978 (5.18698e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0009724608659776694 (6.86046e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0009724601155291696 (7.71701e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0009724600796040659 (3.69425e-06% change) large trace change predicted (1.51509e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.000972459932267908 (1.51509e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0009724599005561693 (3.26098e-06% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0009724598673352602 (3.41617e-06% change) large trace change predicted (1.39418e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0009724597317585352 (1.39416e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0009724596502114002 (8.38566e-06% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0009724596426331569 (7.79286e-07% change) Finished solving for bands 1 to 1 after 144 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.301374 elapsed time for k point: 1.6508841514587402 total elapsed time for run: 1.6717052459716797 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.0207364559173584 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396244070952001 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327734802514244 (5.03009% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312938938238878 (1.12061% change) near maximum in trace linmin: converged after 7 iterations. iteration 4: trace = 0.01143971570304361 (13.7545% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105661862593839 (7.93905% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01008942352517192 (4.6163% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009853432414299437 (2.36667% change) linmin: converged after 9 iterations. iteration 8: trace = 0.008796447371977647 (11.335% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008458573892297535 (3.91623% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008228863765693754 (2.75309% change) large trace change predicted (6.26136%) linmin: converged after 8 iterations. iteration 11: trace = 0.006959104852904234 (16.7206% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006731675902920651 (3.32237% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006525014650664005 (3.11784% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005693152944336223 (13.6168% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005504795126402614 (3.36415% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005182224286497061 (6.03668% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004410551314476156 (16.0886% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004283910858538825 (2.91313% change) linmin: converged after 4 iterations. iteration 19: trace = 0.004224603984055099 (1.39406% change) large trace change predicted (9.32565%) linmin: converged after 6 iterations. iteration 20: trace = 0.003556460288447714 (17.1736% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003124334182325664 (12.9364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003069228500308288 (1.77945% change) large trace change predicted (3.71325%) linmin: converged after 5 iterations. iteration 23: trace = 0.002934336283212315 (4.49374% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002642331733365645 (10.4724% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002571579567536765 (2.71398% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002533478245040884 (1.49269% change) large trace change predicted (7.65005%) linmin: converged after 5 iterations. iteration 27: trace = 0.002278678035592782 (10.5899% change) linmin: converged after 6 iterations. iteration 28: trace = 0.001883039953462777 (19.0132% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001791571188559005 (4.97842% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001767270133788794 (1.36567% change) large trace change predicted (3.86857%) linmin: converged after 4 iterations. iteration 31: trace = 0.001692171162184967 (4.34168% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001555831949289236 (8.39526% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001511411252260324 (2.89646% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001486905418524254 (1.63464% change) large trace change predicted (5.92327%) linmin: converged after 4 iterations. iteration 35: trace = 0.001387435430339875 (6.92124% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001194026459000099 (14.9845% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001122562342865859 (6.16977% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001099956477135663 (2.03426% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001059182240384535 (3.7769% change) linmin: converged after 4 iterations. iteration 40: trace = 0.0009866837678801986 (7.08731% change) linmin: converged after 3 iterations. iteration 41: trace = 0.0009558629207979804 (3.17324% change) linmin: converged after 4 iterations. iteration 42: trace = 0.000945226788377835 (1.11895% change) linmin: converged after 3 iterations. iteration 43: trace = 0.000924321103172021 (2.23644% change) large trace change predicted (6.26126%) linmin: converged after 4 iterations. iteration 44: trace = 0.0008615593030539482 (7.02867% change) linmin: converged after 3 iterations. iteration 45: trace = 0.0008134176826260028 (5.74833% change) linmin: converged after 4 iterations. iteration 46: trace = 0.0007986283255349514 (1.83486% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0007852627945464334 (1.68768% change) large trace change predicted (4.77797%) linmin: converged after 3 iterations. iteration 48: trace = 0.000746112516246948 (5.11309% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0006970945356794821 (6.79292% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0006808926183263277 (2.35153% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0006752932687658546 (0.82575% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0006660950936223296 (1.37144% change) large trace change predicted (3.11166%) linmin: converged after 3 iterations. iteration 53: trace = 0.0006448656202645198 (3.23877% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0006304610544169463 (2.25896% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0006258397561540423 (0.735699% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0006213724158386535 (0.716372% change) large trace change predicted (2.22111%) linmin: converged after 4 iterations. iteration 57: trace = 0.00060735544388472 (2.28154% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0005849991897831023 (3.74993% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0005750384420581695 (1.71731% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0005705355312222069 (0.786141% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0005627759094612319 (1.36937% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0005488357745073478 (2.50809% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0005415218645954189 (1.34156% change) linmin: converged after 4 iterations. iteration 64: trace = 0.000539406995463079 (0.391306% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0005374974140579892 (0.354643% change) large trace change predicted (1.05234%) linmin: converged after 4 iterations. iteration 66: trace = 0.0005318034221012843 (1.06499% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0005225513688367936 (1.75502% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0005182232127285645 (0.831718% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0005162072680198815 (0.389769% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0005155092907313219 (0.135304% change) large trace change predicted (0.688124%) linmin: converged after 3 iterations. iteration 71: trace = 0.000511963736835011 (0.69015% change) linmin: converged after 2 iterations. iteration 72: trace = 0.0005116082162758914 (0.0694666% change) large trace change predicted (2.65047%) linmin: converged after 3 iterations. iteration 73: trace = 0.0004980720955559987 (2.68127% change) linmin: converged after 2 iterations. iteration 74: trace = 0.000496259383039188 (0.364609% change) large trace change predicted (4.18178%) linmin: converged after 3 iterations. iteration 75: trace = 0.0004755685305139801 (4.25813% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0004613074630940695 (3.04439% change) linmin: converged after 3 iterations. iteration 77: trace = 0.000461086796860185 (0.0478464% change) large trace change predicted (0.213803%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004601018611163071 (0.21384% change) large trace change predicted (1.00026%) linmin: converged after 3 iterations. iteration 79: trace = 0.0004555175354457787 (1.00136% change) linmin: converged after 3 iterations. iteration 80: trace = 0.000451454705435926 (0.895911% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004512636246032858 (0.0423345% change) large trace change predicted (0.206391%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004503349945093483 (0.205996% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0004501374789163055 (0.0438693% change) large trace change predicted (0.562754%) linmin: converged after 3 iterations. iteration 84: trace = 0.0004476360710492557 (0.557247% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0004475864327809998 (0.0110896% change) large trace change predicted (0.12546%) linmin: converged after 3 iterations. iteration 86: trace = 0.0004470257239685139 (0.125352% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004469825667573325 (0.00965477% change) large trace change predicted (0.115451%) linmin: converged after 2 iterations. iteration 88: trace = 0.0004464661248477325 (0.115606% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004464504551905567 (0.00350977% change) large trace change predicted (0.177837%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004456538746354487 (0.178585% change) linmin: converged after 2 iterations. iteration 91: trace = 0.000445625717131209 (0.00631844% change) large trace change predicted (0.074741%) linmin: converged after 4 iterations. iteration 92: trace = 0.0004452924589948005 (0.0748123% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0004452687856052667 (0.00531651% change) large trace change predicted (0.113007%) linmin: converged after 3 iterations. iteration 94: trace = 0.0004447657260542291 (0.113043% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0004447267673635986 (0.00875976% change) large trace change predicted (0.105917%) linmin: converged after 2 iterations. iteration 96: trace = 0.0004442556986458764 (0.105979% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0004442455806050653 (0.00227755% change) large trace change predicted (0.0817138%) linmin: converged after 3 iterations. iteration 98: trace = 0.0004438810888302554 (0.082081% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0004438500905875274 (0.0069837% change) large trace change predicted (0.0240443%) linmin: converged after 2 iterations. iteration 100: trace = 0.0004437432255007498 (0.0240797% change) linmin: converged after 2 iterations. iteration 101: trace = 0.000443739165198353 (0.000915016% change) large trace change predicted (0.0185711%) linmin: converged after 2 iterations. iteration 102: trace = 0.0004436567046655289 (0.0185848% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0004436180975636078 (0.0087024% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004435965954249414 (0.00484711% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0004435901010890091 (0.00146403% change) large trace change predicted (0.0143213%) linmin: converged after 3 iterations. iteration 106: trace = 0.0004435266121585402 (0.0143135% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0004434983515584631 (0.006372% change) linmin: converged after 3 iterations. iteration 108: trace = 0.0004434761005167168 (0.00501729% change) linmin: converged after 2 iterations. iteration 109: trace = 0.000443471473101926 (0.00104345% change) large trace change predicted (0.00742987%) linmin: converged after 2 iterations. iteration 110: trace = 0.0004434385151230211 (0.00743209% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0004434252055768053 (0.00300149% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004434206868132144 (0.00101906% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0004434136924361114 (0.00157738% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004434078981871957 (0.00130675% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0004434060803082056 (0.00040998% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004434035864054603 (0.000562444% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0004433997721779489 (0.000860219% change) linmin: converged after 2 iterations. iteration 118: trace = 0.000443399392283445 (8.56777e-05% change) large trace change predicted (0.000765319%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004433959989794411 (0.000765296% change) linmin: converged after 2 iterations. iteration 120: trace = 0.00044339371075306 (0.00051607% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0004433925552247408 (0.00026061% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004433924380077804 (2.64364e-05% change) large trace change predicted (0.000654702%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004433895351568666 (0.000654693% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004433889271465913 (0.000137128% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0004433880632293152 (0.000194844% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004433880312280442 (7.21744e-06% change) large trace change predicted (9.11993e-05%) linmin: converged after 2 iterations. iteration 127: trace = 0.0004433876268651223 (9.11985e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004433874490725939 (4.00987e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0004433873033573241 (3.28641e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004433872992476652 (9.26878e-07% change) Finished solving for bands 1 to 1 after 130 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.317732 elapsed time for k point: 1.4923806190490723 total elapsed time for run: 1.5131950378417969 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.02069234848022461 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396317243285668 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327582341516153 (5.0468% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313921802708363 (1.0343% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142281205553218 (13.9761% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01058525607493009 (7.61135% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01015898370443472 (4.10979% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009918237309326911 (2.3982% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008927971077279892 (10.5089% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008614717280223115 (3.57133% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008466233313486282 (1.73859% change) large trace change predicted (5.78164%) linmin: converged after 8 iterations. iteration 11: trace = 0.007282511329326608 (15.0326% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007044999189470764 (3.31547% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006874592947720659 (2.44844% change) linmin: converged after 8 iterations. iteration 14: trace = 0.006133148163373812 (11.4001% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005961549769358036 (2.83758% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005645565245546903 (5.44467% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004830936611899732 (15.5515% change) linmin: converged after 4 iterations. iteration 18: trace = 0.00468699404493146 (3.02466% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004633898350189914 (1.13928% change) large trace change predicted (8.32154%) linmin: converged after 6 iterations. iteration 20: trace = 0.003985702634739935 (15.04% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003535474708250761 (11.9723% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003476369469704983 (1.68587% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003338185922510775 (4.05554% change) linmin: converged after 6 iterations. iteration 24: trace = 0.003040239886148364 (9.34231% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002968314177933205 (2.39411% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002929179324697319 (1.32717% change) large trace change predicted (6.73473%) linmin: converged after 5 iterations. iteration 27: trace = 0.002665163221257243 (9.43868% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002263716107347377 (16.2896% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002168934509113463 (4.27652% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002140776398959154 (1.30673% change) large trace change predicted (3.62381%) linmin: converged after 4 iterations. iteration 31: trace = 0.002054832936096792 (4.09683% change) linmin: converged after 4 iterations. iteration 32: trace = 0.001928675147041206 (6.334% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001891060683023195 (1.96948% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001863419993302237 (1.47241% change) large trace change predicted (5.5606%) linmin: converged after 5 iterations. iteration 35: trace = 0.001742904242531463 (6.68358% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001553603641486536 (11.4849% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001490518358324549 (4.14473% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001465056863304262 (1.72295% change) large trace change predicted (3.54511%) linmin: converged after 4 iterations. iteration 39: trace = 0.001409511515973018 (3.8646% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001324643606820315 (6.20798% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001293109867282867 (2.40922% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001281892836857325 (0.871225% change) linmin: converged after 3 iterations. iteration 43: trace = 0.00125891530264086 (1.80868% change) large trace change predicted (4.91517%) linmin: converged after 4 iterations. iteration 44: trace = 0.001191045275694249 (5.5405% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001138499727044637 (4.51123% change) linmin: converged after 3 iterations. iteration 46: trace = 0.00112217005827086 (1.44468% change) linmin: converged after 4 iterations. iteration 47: trace = 0.001108595699022943 (1.21701% change) large trace change predicted (3.33729%) linmin: converged after 3 iterations. iteration 48: trace = 0.00106990137209626 (3.55239% change) linmin: converged after 3 iterations. iteration 49: trace = 0.001014621259074859 (5.30386% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0009931819911291784 (2.13559% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0009855932451852891 (0.767014% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0009747198763071041 (1.10935% change) large trace change predicted (2.27865%) linmin: converged after 3 iterations. iteration 53: trace = 0.0009518762290193007 (2.3714% change) linmin: converged after 3 iterations. iteration 54: trace = 0.000936206876861836 (1.65982% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0009309620733694867 (0.561792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0009261399277447653 (0.519319% change) large trace change predicted (1.55474%) linmin: converged after 4 iterations. iteration 57: trace = 0.00091147405205288 (1.59619% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0008851577234208827 (2.92952% change) linmin: converged after 4 iterations. iteration 59: trace = 0.000871693071462957 (1.53282% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0008661342145276757 (0.639748% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0008582710079956901 (0.911991% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0008422283020141749 (1.88682% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008310961553884803 (1.33054% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0008278256094758052 (0.394298% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0008259581513424405 (0.225841% change) large trace change predicted (0.54409%) linmin: converged after 4 iterations. iteration 66: trace = 0.0008214375661513955 (0.548816% change) large trace change predicted (1.31796%) linmin: converged after 4 iterations. iteration 67: trace = 0.0008104570891751629 (1.34573% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0008022185029149467 (1.02173% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0007990641591560541 (0.393977% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007982674272523973 (0.0997579% change) large trace change predicted (0.511106%) linmin: converged after 3 iterations. iteration 71: trace = 0.0007941909653997978 (0.511971% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007934194265284086 (0.097195% change) large trace change predicted (2.05123%) linmin: converged after 3 iterations. iteration 73: trace = 0.0007771906069317217 (2.06656% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0007749505868590912 (0.288636% change) large trace change predicted (3.32417%) linmin: converged after 3 iterations. iteration 75: trace = 0.0007492994743139881 (3.36574% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0007303048045866819 (2.56753% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0007296260899935709 (0.092979% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0007286441023555666 (0.134678% change) large trace change predicted (0.558198%) linmin: converged after 3 iterations. iteration 79: trace = 0.0007245873406316013 (0.558309% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0007180771875009409 (0.902518% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0007177753846876979 (0.0420381% change) large trace change predicted (0.226857%) linmin: converged after 3 iterations. iteration 82: trace = 0.000716151529606785 (0.226491% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0007160330404420637 (0.0165466% change) large trace change predicted (0.465216%) linmin: converged after 3 iterations. iteration 84: trace = 0.0007127367071703552 (0.461423% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0007126620769586376 (0.0104715% change) large trace change predicted (0.165499%) linmin: converged after 3 iterations. iteration 86: trace = 0.0007114852716359877 (0.165265% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0007114282832200261 (0.0080101% change) large trace change predicted (0.095004%) linmin: converged after 2 iterations. iteration 88: trace = 0.0007107523356495113 (0.0950579% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0007107286747960166 (0.00332904% change) large trace change predicted (0.213089%) linmin: converged after 4 iterations. iteration 90: trace = 0.0007092078344342839 (0.214212% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0007089701515821492 (0.0335195% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0007085829024920332 (0.0546363% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0007085381993799383 (0.006309% change) large trace change predicted (0.0927125%) linmin: converged after 4 iterations. iteration 94: trace = 0.0007078806538428304 (0.0928462% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0007072074075472449 (0.0951526% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0007068181437308571 (0.0550575% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0007067093274665086 (0.0153964% change) large trace change predicted (0.0560665%) linmin: converged after 4 iterations. iteration 98: trace = 0.0007063118363023088 (0.0562612% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0007061403184936995 (0.0242865% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0007060950996107109 (0.00640387% change) large trace change predicted (0.0267454%) linmin: converged after 2 iterations. iteration 101: trace = 0.0007059060330943756 (0.0267799% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0007058881454630637 (0.00253403% change) large trace change predicted (0.0136289%) linmin: converged after 3 iterations. iteration 103: trace = 0.0007057919581192457 (0.0136274% change) linmin: converged after 3 iterations. iteration 104: trace = 0.0007057842514747198 (0.00109192% change) large trace change predicted (0.0186307%) linmin: converged after 3 iterations. iteration 105: trace = 0.0007056529475521908 (0.0186057% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0007056483369611143 (0.000653382% change) large trace change predicted (0.0148068%) linmin: converged after 3 iterations. iteration 107: trace = 0.000705543918210456 (0.0147987% change) linmin: converged after 2 iterations. iteration 108: trace = 0.000705532903597466 (0.00156116% change) large trace change predicted (0.0110758%) linmin: converged after 2 iterations. iteration 109: trace = 0.0007054546515590827 (0.0110918% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0007054502743518854 (0.000620482% change) large trace change predicted (0.00195447%) linmin: converged after 2 iterations. iteration 111: trace = 0.0007054364838128092 (0.00195488% change) linmin: converged after 3 iterations. iteration 112: trace = 0.0007054238644734249 (0.00178889% change) linmin: converged after 3 iterations. iteration 113: trace = 0.0007054118291849797 (0.00170612% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0007054065895956108 (0.000742773% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0007054022952447675 (0.000608779% change) large trace change predicted (0.00136007%) linmin: converged after 2 iterations. iteration 116: trace = 0.0007053927001435499 (0.00136024% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0007053920786220325 (8.811e-05% change) large trace change predicted (0.00165021%) linmin: converged after 2 iterations. iteration 118: trace = 0.0007053804353965119 (0.00165062% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0007053797879385738 (9.17885e-05% change) large trace change predicted (0.000677675%) linmin: converged after 3 iterations. iteration 120: trace = 0.0007053750082369815 (0.000677609% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0007053742080988281 (0.000113434% change) large trace change predicted (0.000715979%) linmin: converged after 3 iterations. iteration 122: trace = 0.0007053691586075163 (0.000715862% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0007053690877136242 (1.00506e-05% change) large trace change predicted (0.000338665%) linmin: converged after 2 iterations. iteration 124: trace = 0.0007053666990218504 (0.000338645% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0007053665919396136 (1.51811e-05% change) large trace change predicted (0.000210995%) linmin: converged after 2 iterations. iteration 126: trace = 0.0007053651035997123 (0.000211003% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0007053650603494634 (6.13161e-06% change) large trace change predicted (3.74997e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0007053647958367628 (3.75001e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0007053645526032327 (3.44834e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0007053644026624961 (2.12572e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0007053642119763344 (2.70337e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0007053641295694878 (1.16829e-05% change) large trace change predicted (3.47577e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0007053638844030207 (3.47574e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0007053638768681143 (1.06823e-06% change) large trace change predicted (6.4584e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0007053634213076872 (6.45852e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0007053633820806047 (5.56126e-06% change) large trace change predicted (2.17913e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0007053632283731586 (2.17912e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0007053632203734036 (1.13413e-06% change) large trace change predicted (1.65302e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0007053631037760412 (1.65301e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0007053630961879837 (1.07577e-06% change) large trace change predicted (8.44799e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.0007053630365991281 (8.44797e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.0007053630328314474 (5.34148e-07% change) Finished solving for bands 1 to 1 after 142 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.308953 elapsed time for k point: 1.6282975673675537 total elapsed time for run: 1.6490647792816162 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.02075028419494629 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271668064178 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684595598255 (5.03584% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313324005126113 (1.08751% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143110159363428 (13.8586% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057166476712219 (7.81208% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011480006992664 (4.41704% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876896507187455 (2.38002% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008845869822923574 (11.0136% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008516806987200941 (3.79046% change) linmin: converged after 5 iterations. iteration 10: trace = 0.00832590273733516 (2.26691% change) large trace change predicted (6.10025%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074435670629143 (16.2525% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006841983820930765 (3.34068% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006643948104065947 (2.93692% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865142910607767 (12.4518% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690265827312301 (3.02676% change) linmin: converged after 5 iterations. iteration 16: trace = 0.00535881785900824 (5.99956% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004559992561166509 (16.1073% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004422633267904338 (3.05833% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004367501598831272 (1.2544% change) large trace change predicted (8.81855%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725260303643338 (15.872% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003275912354833033 (12.8364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217291914268765 (1.80559% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089322841907514 (4.05825% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002788506790119992 (10.2356% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710327276129638 (2.84349% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002673641018404148 (1.3628% change) large trace change predicted (6.80645%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438399819818186 (9.20342% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002033628117899962 (18.1024% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001932625575539135 (5.0931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907447121684098 (1.31135% change) large trace change predicted (3.49617%) linmin: converged after 4 iterations. iteration 31: trace = 0.00183438052176197 (3.9054% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001693627002739067 (7.97921% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001645862013238168 (2.86062% change) linmin: converged after 3 iterations. iteration 34: trace = 0.00162157241629789 (1.48677% change) large trace change predicted (5.19604%) linmin: converged after 4 iterations. iteration 35: trace = 0.001526837304745307 (6.01797% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331181622034807 (13.6917% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255055950307491 (5.88698% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001231638631401503 (1.88341% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191185578548669 (3.33933% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001115731224186962 (6.54158% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001081930559011541 (3.07606% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001070713334836635 (1.04218% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050332277613745 (1.92179% change) large trace change predicted (5.53461%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009871633722001729 (6.20064% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009348499846546385 (5.4436% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009186091628694516 (1.75249% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009053624949967428 (1.45251% change) large trace change predicted (4.01003%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008674888830344292 (4.27262% change) linmin: converged after 3 iterations. iteration 49: trace = 0.000815917808024272 (6.12699% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007976349713737663 (2.26616% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007916172097670898 (0.757307% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007826476374442106 (1.13953% change) large trace change predicted (2.68833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007610683319900294 (2.79576% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007448033462442141 (2.16021% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007395059081838848 (0.713792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007349897230080258 (0.612574% change) large trace change predicted (1.82366%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007213725308918576 (1.87003% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006974056183726675 (3.37853% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006857685871015401 (1.68266% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006809629613158378 (0.703229% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006737065007970905 (1.07133% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006595597907028988 (2.12211% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006509089490045906 (1.32027% change) linmin: converged after 4 iterations. iteration 64: trace = 0.000648390139008096 (0.387718% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006465124061327822 (0.290019% change) large trace change predicted (0.811341%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006412331173871243 (0.819927% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006311167036603302 (1.59019% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006255870591613838 (0.880024% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006232810581697588 (0.369295% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006225571732058487 (0.116209% change) large trace change predicted (0.609983%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006187620007083572 (0.611474% change) large trace change predicted (1.73973%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006080141759785162 (1.75221% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006035622678294842 (0.734895% change) linmin: converged after 3 iterations. iteration 74: trace = 0.000595675941589176 (1.31522% change) large trace change predicted (2.85632%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005786878970601236 (2.89315% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005632744308314576 (2.69947% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005628726027645088 (0.0713633% change) large trace change predicted (0.145053%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005620566909255353 (0.14506% change) large trace change predicted (0.920718%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005569012686960131 (0.921468% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005530168479588385 (0.699947% change) linmin: converged after 3 iterations. iteration 81: trace = 0.000552344793798031 (0.121599% change) linmin: converged after 3 iterations. iteration 82: trace = 0.000551920157722399 (0.0769084% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005511154675303584 (0.145905% change) large trace change predicted (0.454137%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005486399805365793 (0.450189% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548300104319791 (0.0619681% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005481437586086366 (0.0285187% change) large trace change predicted (0.103654%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005475762673218656 (0.103583% change) linmin: converged after 2 iterations. iteration 88: trace = 0.000547117377507929 (0.0838389% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005469543549641731 (0.0298011% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005468753842766473 (0.0144393% change) large trace change predicted (0.179336%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005458908535778176 (0.180191% change) linmin: converged after 2 iterations. iteration 92: trace = 0.000545740212596132 (0.0275992% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005454536841268173 (0.0525165% change) linmin: converged after 2 iterations. iteration 94: trace = 0.000545372590907421 (0.0148682% change) large trace change predicted (0.0882481%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005448913918826278 (0.088272% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005447734720800742 (0.0216433% change) large trace change predicted (0.0981658%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005442386144210498 (0.098228% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005442276851013982 (0.00200821% change) large trace change predicted (0.082279%) linmin: converged after 3 iterations. iteration 99: trace = 0.000543777692238516 (0.0827189% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005437640368084512 (0.00251125% change) large trace change predicted (0.0242661%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005436318787461986 (0.0243073% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005436266544387048 (0.000961006% change) large trace change predicted (0.0202723%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005435163780754024 (0.0202874% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005435111183287058 (0.00096773% change) large trace change predicted (0.0121753%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005434449567638346 (0.0121737% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005434410274727722 (0.000723036% change) large trace change predicted (0.0153686%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005433575837247766 (0.0153559% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005433559425934954 (0.000302036% change) large trace change predicted (0.0117648%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005432920431473504 (0.0117608% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005432896628366279 (0.000438128% change) large trace change predicted (0.00949573%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005432380426682029 (0.00950186% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005432331257739413 (0.000905113% change) large trace change predicted (0.00221037%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005432211163619406 (0.00221075% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005432204746704822 (0.000118127% change) large trace change predicted (0.00265795%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005432060353813382 (0.00265813% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005432036139747325 (0.000445763% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005431990785116022 (0.000834951% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005431979264061396 (0.000212097% change) large trace change predicted (0.000723263%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005431939976704364 (0.000723263% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005431920389551224 (0.000360593% change) large trace change predicted (0.00103864%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005431863971833785 (0.00103864% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005431852869783198 (0.000204388% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005431845310994438 (0.000139157% change) large trace change predicted (0.000337847%) linmin: converged after 2 iterations. iteration 124: trace = 0.000543182695996185 (0.000337842% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005431795216100779 (0.000584407% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005431788940633769 (0.000115532% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005431787781330327 (2.13429e-05% change) large trace change predicted (0.000240786%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005431774702791057 (0.000240778% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005431773353970926 (2.4832e-05% change) large trace change predicted (0.000112502%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005431767243155024 (0.000112501% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005431767142489058 (1.85328e-06% change) large trace change predicted (2.02553e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005431766042266782 (2.02553e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.000543176574161365 (5.53509e-06% change) large trace change predicted (3.94766e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005431763597343423 (3.94765e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005431763503040966 (1.73613e-06% change) large trace change predicted (2.12872e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.000543176234677504 (2.12871e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005431762149597926 (3.63008e-06% change) large trace change predicted (1.89982e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005431761117660941 (1.89982e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005431761082614514 (6.45213e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314172 elapsed time for k point: 1.595609426498413 total elapsed time for run: 1.6164357662200928 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.02069711685180664 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396294122459344 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327637332042483 (5.04101% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313625235226449 (1.06102% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142626466081206 (13.9236% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105778426814134 (7.71149% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0101363985755614 (4.26223% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009897078209530211 (2.3892% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008886564416163931 (10.7595% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008565145991414757 (3.68352% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008397849844196486 (1.97248% change) large trace change predicted (5.94936%) linmin: converged after 8 iterations. iteration 11: trace = 0.007175141845485481 (15.7029% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006939886279384928 (3.33341% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006754220864569289 (2.71161% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005999068791946599 (11.8425% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005828143295073389 (2.89038% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005499745249123639 (5.79805% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004689705950920837 (15.8996% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004548216263126357 (3.06324% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004494400626899334 (1.19027% change) large trace change predicted (8.55502%) linmin: converged after 6 iterations. iteration 20: trace = 0.003852697661175052 (15.3755% change) linmin: converged after 6 iterations. iteration 21: trace = 0.0034014414145845 (12.4413% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003342291500881623 (1.75422% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003210733866359813 (4.01517% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002909608419548927 (9.84015% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002833135702071695 (2.66328% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002795671508315809 (1.33116% change) large trace change predicted (6.68769%) linmin: converged after 5 iterations. iteration 27: trace = 0.002551161055453284 (9.14599% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002146624058542036 (17.2225% change) linmin: converged after 4 iterations. iteration 29: trace = 0.00204733544086407 (4.73484% change) linmin: converged after 3 iterations. iteration 30: trace = 0.00202107595893538 (1.2909% change) large trace change predicted (3.49827%) linmin: converged after 4 iterations. iteration 31: trace = 0.001943283503154611 (3.92459% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001807179549762562 (7.25798% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001763263473844696 (2.45998% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001737800359347729 (1.45459% change) large trace change predicted (5.25882%) linmin: converged after 4 iterations. iteration 35: trace = 0.001633741627697708 (6.17277% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001441114809867697 (12.5292% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001370755783743621 (5.00443% change) linmin: converged after 3 iterations. iteration 38: trace = 0.00134631741524177 (1.79887% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001298937134868446 (3.58229% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001218627642647817 (6.37993% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001185961764721339 (2.71696% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001174813105180796 (0.944492% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001153265562988625 (1.8511% change) large trace change predicted (5.22719%) linmin: converged after 4 iterations. iteration 44: trace = 0.001087433671139488 (5.87601% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001034298521880557 (5.00866% change) linmin: converged after 3 iterations. iteration 46: trace = 0.001017851035012099 (1.60295% change) linmin: converged after 4 iterations. iteration 47: trace = 0.001004519468266867 (1.31841% change) large trace change predicted (3.61609%) linmin: converged after 3 iterations. iteration 48: trace = 0.0009665939687656473 (3.84813% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0009133188303336338 (5.66783% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008935369733048619 (2.18964% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008868840069742658 (0.747348% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008772749495146425 (1.08936% change) large trace change predicted (2.44609%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008552392129392182 (2.54379% change) linmin: converged after 3 iterations. iteration 54: trace = 0.0008389524700086535 (1.92266% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0008335405326953311 (0.64717% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0008288283473226643 (0.566924% change) large trace change predicted (1.66737%) linmin: converged after 4 iterations. iteration 57: trace = 0.0008147725921364889 (1.71036% change) linmin: converged after 3 iterations. iteration 58: trace = 0.000790079348502196 (3.07732% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007778204750161943 (1.56373% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007726674683077616 (0.664695% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0007649513901890368 (1.00364% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0007496428368855976 (2.02147% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0007398684201149591 (1.31243% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0007370458133994609 (0.38223% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0007351918599732679 (0.251855% change) large trace change predicted (0.666574%) linmin: converged after 4 iterations. iteration 66: trace = 0.0007302607013468775 (0.672988% change) large trace change predicted (1.44705%) linmin: converged after 4 iterations. iteration 67: trace = 0.0007195516691319879 (1.4773% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007127713608888159 (0.946757% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0007101173341138097 (0.373048% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007093654384198903 (0.105939% change) large trace change predicted (0.55778%) linmin: converged after 3 iterations. iteration 71: trace = 0.0007054115335786769 (0.558944% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007043508284979817 (0.15048% change) large trace change predicted (2.1297%) linmin: converged after 3 iterations. iteration 73: trace = 0.0006893877837385362 (2.14718% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006869429879506451 (0.355263% change) large trace change predicted (3.46402%) linmin: converged after 3 iterations. iteration 75: trace = 0.0006632419730397962 (3.51078% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006461474496945579 (2.61107% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0006453825708278458 (0.118445% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0006447710424080828 (0.0947993% change) large trace change predicted (0.757839%) linmin: converged after 3 iterations. iteration 79: trace = 0.0006399009415611152 (0.758186% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0006345766138965601 (0.835531% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0006342779858428809 (0.0470705% change) large trace change predicted (0.197479%) linmin: converged after 3 iterations. iteration 82: trace = 0.0006330287779102235 (0.197144% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0006328503458957501 (0.028191% change) large trace change predicted (0.477008%) linmin: converged after 3 iterations. iteration 84: trace = 0.0006298664595369266 (0.472614% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0006297884416290541 (0.0123872% change) large trace change predicted (0.134896%) linmin: converged after 3 iterations. iteration 86: trace = 0.0006289405513808802 (0.134722% change) linmin: converged after 2 iterations. iteration 87: trace = 0.000628899974773752 (0.00645179% change) large trace change predicted (0.114108%) linmin: converged after 2 iterations. iteration 88: trace = 0.0006281819528921466 (0.114236% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0006281612812703274 (0.00329076% change) large trace change predicted (0.19915%) linmin: converged after 4 iterations. iteration 90: trace = 0.000626904802743354 (0.200225% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0006268416995455249 (0.0100663% change) large trace change predicted (0.0707117%) linmin: converged after 4 iterations. iteration 92: trace = 0.000626398031200697 (0.0708034% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0006263687788694997 (0.00467004% change) large trace change predicted (0.100754%) linmin: converged after 2 iterations. iteration 94: trace = 0.0006257376260450098 (0.100815% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0006254476225760961 (0.0463566% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0006249214954459052 (0.0841555% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0006249085073484309 (0.00207838% change) large trace change predicted (0.0655912%) linmin: converged after 2 iterations. iteration 98: trace = 0.0006244969880426439 (0.0658744% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0006243594162138282 (0.0220316% change) linmin: converged after 2 iterations. iteration 100: trace = 0.000624241151943357 (0.0189435% change) linmin: converged after 2 iterations. iteration 101: trace = 0.000624212042985705 (0.0046632% change) large trace change predicted (0.0168475%) linmin: converged after 2 iterations. iteration 102: trace = 0.0006241068170756184 (0.0168588% change) linmin: converged after 3 iterations. iteration 103: trace = 0.0006240132387221412 (0.0149951% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0006240067268226 (0.00104356% change) large trace change predicted (0.0183095%) linmin: converged after 3 iterations. iteration 105: trace = 0.0006238926340020638 (0.0182856% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0006238881804011385 (0.000713843% change) large trace change predicted (0.0117224%) linmin: converged after 3 iterations. iteration 107: trace = 0.0006238150679888238 (0.0117195% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0006238111858541209 (0.000622323% change) large trace change predicted (0.0102983%) linmin: converged after 2 iterations. iteration 109: trace = 0.0006237468869857166 (0.010308% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0006237433266614736 (0.000570798% change) large trace change predicted (0.00283281%) linmin: converged after 2 iterations. iteration 111: trace = 0.0006237256523971075 (0.00283362% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0006237252184688632 (6.95704e-05% change) large trace change predicted (0.00313033%) linmin: converged after 2 iterations. iteration 113: trace = 0.0006237056946706445 (0.00313024% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0006237007607950867 (0.000791061% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0006236986742964905 (0.000334536% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0006236977784986499 (0.000143627% change) large trace change predicted (0.0013261%) linmin: converged after 2 iterations. iteration 117: trace = 0.0006236895075211976 (0.00132613% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0006236808514365237 (0.00138789% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0006236804477339091 (6.47291e-05% change) large trace change predicted (0.000231625%) linmin: converged after 2 iterations. iteration 120: trace = 0.000623679003152764 (0.000231622% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0006236775448099615 (0.000233829% change) large trace change predicted (0.000893709%) linmin: converged after 3 iterations. iteration 122: trace = 0.0006236719715208699 (0.000893621% change) linmin: converged after 2 iterations. iteration 123: trace = 0.000623671928777806 (6.85345e-06% change) large trace change predicted (0.000268391%) linmin: converged after 2 iterations. iteration 124: trace = 0.0006236702549674029 (0.00026838% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0006236701591373846 (1.53655e-05% change) large trace change predicted (0.000167545%) linmin: converged after 2 iterations. iteration 126: trace = 0.0006236691142128329 (0.000167545% change) linmin: converged after 2 iterations. iteration 127: trace = 0.000623669082624373 (5.06494e-06% change) large trace change predicted (5.07594e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0006236687660521727 (5.07597e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0006236687434016196 (3.63182e-06% change) large trace change predicted (3.23205e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0006236685418293175 (3.23204e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0006236684592828902 (1.32356e-05% change) large trace change predicted (2.8915e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0006236682789503567 (2.89148e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.000623668112285268 (2.67234e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0006236680961512993 (2.58695e-06% change) large trace change predicted (1.20072e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0006236680212656859 (1.20073e-05% change) large trace change predicted (3.59893e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0006236677968098729 (3.59896e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0006236677322588542 (1.03502e-05% change) linmin: converged after 1 iterations. iteration 138: trace = 0.0006236677264374819 (9.33409e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.311508 elapsed time for k point: 1.5822405815124512 total elapsed time for run: 1.6030125617980957 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.020759105682373047 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777714664 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684379137834 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325504767619 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107375026262 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169175347203 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490401423856 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993337265352 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068470974293 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042058967242 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.00832626848693414 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915032852234 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447359752666 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462502628895 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808450911949 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690963924727294 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359508692823277 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560607785606784 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220513172131 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098355875537 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725891995242782 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517110248674 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890486414094 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917318488576 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.00278908886523664 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905417204756 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218254917181 (1.36254% change) large trace change predicted (6.80506%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438970620831818 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189439768387 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181199986568 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998595870165 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919621326245 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173099892679 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646415904534004 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123158542955 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527365709930838 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717514591196 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255605936842816 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184429337703 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709348158984 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235085943396 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435601359289 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218102267975 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833228243994 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876537370636525 (6.19867% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353331996985168 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190902455029648 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058432716954044 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679702052330636 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163905684761655 (6.12454% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981007598773917 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920806224653313 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831093799267675 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615281850516419 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.000745260611770681 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399618151078841 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354447922331124 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218265362523735 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978561881913096 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862156205668415 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814084080019617 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741504129202207 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599992909321068 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513436270768879 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488234806108049 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469458212890794 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416678507558666 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000631548180100969 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260133894781693 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237060645370955 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229820697156995 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191860209859911 (0.611197% change) large trace change predicted (1.75539%) linmin: converged after 3 iterations. iteration 72: trace = 0.000608334249170703 (1.76808% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039816651688246 (0.718061% change) linmin: converged after 3 iterations. iteration 74: trace = 0.000595348440836149 (1.43967% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790995758274211 (2.76706% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636612735938741 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632765099686502 (0.0682848% change) large trace change predicted (0.152934%) linmin: converged after 3 iterations. iteration 78: trace = 0.000562415681038789 (0.152942% change) large trace change predicted (0.911932%) linmin: converged after 3 iterations. iteration 79: trace = 0.000557306026923886 (0.912665% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534006161017674 (0.70323% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527443191069777 (0.118664% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523219410884226 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515158430647167 (0.146054% change) large trace change predicted (0.4562%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490274322794222 (0.452215% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486973491241833 (0.0601395% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485468627351564 (0.0274299% change) large trace change predicted (0.104833%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479724982128089 (0.104761% change) linmin: converged after 2 iterations. iteration 88: trace = 0.000547504429214274 (0.0854548% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473523724160429 (0.0277766% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472797511605599 (0.0132686% change) large trace change predicted (0.180542%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462878420897288 (0.181408% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461204694060844 (0.0306429% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458502963192295 (0.0494836% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457795958116766 (0.0129532% change) large trace change predicted (0.0900913%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452879826596289 (0.090116% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451433594403613 (0.0265259% change) large trace change predicted (0.0932206%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446351038596277 (0.0932769% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446244809469969 (0.00195048% change) large trace change predicted (0.0828769%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441708676873725 (0.0833239% change) linmin: converged after 2 iterations. iteration 100: trace = 0.000544156001167019 (0.002732% change) large trace change predicted (0.0234907%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440279807560097 (0.0235292% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440224863448106 (0.00100996% change) large trace change predicted (0.0204396%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439112184854966 (0.0204549% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439049728350657 (0.00114829% change) large trace change predicted (0.011884%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438403475057019 (0.0118824% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438367330666319 (0.000664616% change) large trace change predicted (0.0154665%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437526970877469 (0.0154536% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437509115473565 (0.000328374% change) large trace change predicted (0.011514%) linmin: converged after 3 iterations. iteration 109: trace = 0.000543688328492003 (0.0115102% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436849331146429 (0.00062451% change) large trace change predicted (0.00985792%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436313037308828 (0.00986454% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436282233599583 (0.00056663% change) large trace change predicted (0.00213147%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436166343015478 (0.00213182% change) linmin: converged after 2 iterations. iteration 114: trace = 0.000543615647518413 (0.000181522% change) large trace change predicted (0.00286181%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436000893750979 (0.00286202% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435987502667181 (0.000246341% change) large trace change predicted (0.00070217%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435949333243445 (0.000702164% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435930347529733 (0.000349263% change) large trace change predicted (0.00086659%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435883240480387 (0.00086659% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435871532213639 (0.000215389% change) large trace change predicted (0.000869521%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435824266267932 (0.000869523% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435804116347911 (0.000370688% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435791733250001 (0.000227806% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435778115971018 (0.000250512% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435752134194962 (0.000477978% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435740105292099 (0.000221293% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435737678653585 (4.46423e-05% change) large trace change predicted (0.000217273%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435725868624806 (0.000217267% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435725178691052 (1.26926e-05% change) large trace change predicted (0.000125579%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435718352625747 (0.000125578% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435718240520709 (2.06238e-06% change) large trace change predicted (1.96195e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435717174059907 (1.96195e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435717029106215 (2.66669e-06% change) large trace change predicted (4.27178e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435714707094365 (4.27177e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435714592337835 (2.11116e-06% change) large trace change predicted (2.06103e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435713472024275 (2.06102e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.000543571337751633 (1.73865e-06% change) large trace change predicted (2.10132e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435712235298051 (2.10132e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435712197209131 (7.00716e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 1.591660976409912 total elapsed time for run: 1.6124944686889648 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.020728111267089844 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396282863191972 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327661774820592 (5.03836% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313475705921711 (1.07424% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142848206042753 (13.8929% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057459146050301 (7.76156% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01012549991916601 (4.33903% change) linmin: converged after 6 iterations. iteration 7: trace = 0.00988688171495929 (2.38471% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008866172559638548 (10.8858% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008540877170609645 (3.73751% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008362498806662493 (2.11056% change) large trace change predicted (6.02681%) linmin: converged after 8 iterations. iteration 11: trace = 0.007124056946751806 (15.9938% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006890108050657085 (3.33875% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006697796647324185 (2.83063% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005932474498669807 (12.1189% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005760215701457984 (2.94644% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005429156740685752 (5.91738% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004623726930661104 (16.0239% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004483952645517084 (3.06937% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004429612849271721 (1.21926% change) large trace change predicted (8.67783%) linmin: converged after 6 iterations. iteration 20: trace = 0.003789077339293223 (15.5873% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003338025666249613 (12.6574% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003278987446324333 (1.78444% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003149820606613729 (4.01838% change) linmin: converged after 6 iterations. iteration 24: trace = 0.00284833151181606 (10.0527% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002770456695259842 (2.77194% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002733517993009369 (1.34226% change) large trace change predicted (6.7119%) linmin: converged after 5 iterations. iteration 27: trace = 0.002495418664861261 (9.10699% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002090277746440539 (17.6698% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001989520888850954 (4.93931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001963871598331633 (1.29758% change) large trace change predicted (3.47594%) linmin: converged after 4 iterations. iteration 31: trace = 0.001888954636171618 (3.88894% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001749742206477046 (7.65177% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001703401511957718 (2.68397% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001678658569902254 (1.46319% change) large trace change predicted (5.18144%) linmin: converged after 4 iterations. iteration 35: trace = 0.001580381819219343 (6.03102% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001385927760157615 (13.1108% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001312106703518785 (5.47221% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001288217074306884 (1.83743% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001244812803015811 (3.42706% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001167068511365687 (6.44678% change) linmin: converged after 3 iterations. iteration 41: trace = 0.0011336844620649 (2.90201% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001122485570897603 (0.992735% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001101592563363978 (1.8788% change) large trace change predicted (5.3706%) linmin: converged after 4 iterations. iteration 44: trace = 0.001037151673772843 (6.02605% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009842870945852987 (5.23039% change) linmin: converged after 3 iterations. iteration 46: trace = 0.000967899594766848 (1.67889% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009546160438392126 (1.38189% change) large trace change predicted (3.80118%) linmin: converged after 3 iterations. iteration 48: trace = 0.0009167470665589102 (4.04721% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008643207672567333 (5.88706% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008453159364333408 (2.22326% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008390202920108221 (0.747552% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008298051200524258 (1.10439% change) large trace change predicted (2.55833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008080190558186612 (2.66037% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007916285670434038 (2.04926% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007862346773269341 (0.683695% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007816219256483931 (0.588415% change) large trace change predicted (1.73592%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007678304831788103 (1.78017% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007435387853994763 (3.21453% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007315946497796818 (1.6194% change) linmin: converged after 4 iterations. iteration 60: trace = 0.000726620250752788 (0.682259% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0007191451122634817 (1.03407% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0007044525977790563 (2.06414% change) linmin: converged after 4 iterations. iteration 63: trace = 0.000695282534013834 (1.31026% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006926243539969523 (0.383049% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006907570462354817 (0.269963% change) large trace change predicted (0.737695%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006856288674035234 (0.745166% change) large trace change predicted (1.50311%) linmin: converged after 4 iterations. iteration 67: trace = 0.0006751905099973591 (1.53413% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006690887107697645 (0.907817% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006666308441732833 (0.368021% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006658947663968237 (0.110479% change) large trace change predicted (0.583051%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006620147964849345 (0.584373% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006593874374561055 (0.397662% change) large trace change predicted (1.97433%) linmin: converged after 3 iterations. iteration 73: trace = 0.0006463944470263229 (1.99007% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006439167969022931 (0.384039% change) large trace change predicted (3.60299%) linmin: converged after 3 iterations. iteration 75: trace = 0.0006208046970136553 (3.65489% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006051224312603182 (2.55843% change) linmin: converged after 2 iterations. iteration 77: trace = 0.000604072952216364 (0.173583% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0006035815759973734 (0.081377% change) large trace change predicted (0.878809%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005982971756148764 (0.879357% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005936478812233096 (0.780119% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005932851237812251 (0.0611252% change) large trace change predicted (0.129434%) linmin: converged after 3 iterations. iteration 82: trace = 0.0005925186069986293 (0.129282% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005919600556581854 (0.0943118% change) large trace change predicted (0.482135%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005891395700540228 (0.477603% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005890401124212956 (0.0168833% change) large trace change predicted (0.0998023%) linmin: converged after 3 iterations. iteration 86: trace = 0.000588453066621092 (0.0997111% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005882459274663682 (0.0352068% change) large trace change predicted (0.114927%) linmin: converged after 4 iterations. iteration 88: trace = 0.0005875693650862774 (0.11508% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005875433052724589 (0.00443529% change) large trace change predicted (0.146911%) linmin: converged after 4 iterations. iteration 90: trace = 0.0005866773124723556 (0.147501% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0005863762211883989 (0.0513346% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005859485425554767 (0.0729625% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005859110908201244 (0.00639185% change) large trace change predicted (0.101499%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005853164619593232 (0.101539% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005852989941774299 (0.00298438% change) large trace change predicted (0.116394%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005846175651483718 (0.116492% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005845742989227095 (0.00740105% change) large trace change predicted (0.0708106%) linmin: converged after 3 iterations. iteration 98: trace = 0.000584158597619015 (0.0711371% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005841389166817041 (0.00336917% change) large trace change predicted (0.0329036%) linmin: converged after 2 iterations. iteration 100: trace = 0.0005839462671577852 (0.0329855% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005839312924220796 (0.00256444% change) large trace change predicted (0.020159%) linmin: converged after 2 iterations. iteration 102: trace = 0.0005838134979409967 (0.0201747% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005837926977459798 (0.00356288% change) large trace change predicted (0.0112663%) linmin: converged after 3 iterations. iteration 104: trace = 0.0005837269323054193 (0.0112658% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005837235328225812 (0.000582377% change) large trace change predicted (0.0172364%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005836230367732948 (0.0172179% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005836125833706635 (0.00179114% change) large trace change predicted (0.0105648%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005835509463284515 (0.0105619% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0005835489435572009 (0.000343205% change) large trace change predicted (0.0100451%) linmin: converged after 2 iterations. iteration 110: trace = 0.000583490283001225 (0.0100529% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005834861943973216 (0.000700717% change) large trace change predicted (0.00228227%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005834728751719947 (0.00228272% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005834693550789973 (0.000603302% change) large trace change predicted (0.00250098%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005834547623778048 (0.00250105% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005834540404858248 (0.000123727% change) large trace change predicted (0.000981181%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005834483159081917 (0.000981158% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005834430901088861 (0.000895679% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005834414461653359 (0.000281766% change) linmin: converged after 2 iterations. iteration 119: trace = 0.000583440043365722 (0.000240436% change) large trace change predicted (0.00122504%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005834328958089013 (0.00122508% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0005834306998253592 (0.000376391% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005834302300646752 (8.0517e-05% change) large trace change predicted (0.000409962%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005834278383109906 (0.000409948% change) linmin: converged after 2 iterations. iteration 124: trace = 0.000583425479410618 (0.000404318% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005834241979465446 (0.000219645% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005834239135666853 (4.87433e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005834235029711322 (7.03769e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005834229492303528 (9.49124e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005834227993077972 (2.56971e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.000583422768491742 (5.28194e-06% change) large trace change predicted (3.57128e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.000583422560135591 (3.57127e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005834225295461947 (5.24309e-06% change) large trace change predicted (2.86351e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005834223624832918 (2.8635e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005834223464450213 (2.749e-06% change) large trace change predicted (2.51074e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005834221999629343 (2.51074e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005834221953899246 (7.83825e-07% change) Finished solving for bands 1 to 1 after 136 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.31282 elapsed time for k point: 1.5607082843780518 total elapsed time for run: 1.581512689590454 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.020912885665893555 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790268 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.0132768437898852 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801425 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373144484 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177222432 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408586916 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993403819643 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068607439295 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042220817565 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268738585744 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915362517135 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447678736494 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462856613135 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909845259 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406340942 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169261019 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608209494938 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220917587648 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098766926611 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.00372589243106613 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527249612 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899079236 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728479762 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.00278908926654261 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.00271090581565161 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218652792239 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.00243897101486871 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189827145056 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.00193318158318564 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976181443 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993175877 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476565898 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286542109 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538397925 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074539508 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884448294 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316354457 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805930537 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00119170970951392 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433486491 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949678362 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450397163 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573771547 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540753265136 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329614315 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.000919090577272082 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032706381 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705372535829 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945658811 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811144648 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420555938 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983739418 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285022066363 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271197911 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295114389 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.000735445106061589 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493690214 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.000697856498951369 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288793927 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.000681408715217845 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190796384 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940364297 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268330784 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794395849 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461201706493 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505589818 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776572268 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136834693551 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576121468 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627153537 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863133815519 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344729923784 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819543698976 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481792550652 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998596811756 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393271212 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767884744896 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159233872903 (0.152949% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060329023 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786328637 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.000552744594655029 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222163981345 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161191544283 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276985869225 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231167214 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471396923261 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715162159 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960197153 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526468642638 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.000547280029041662 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158376908 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310013414 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505697912081 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798750670163 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561278344 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436124854142 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.000544635377255203 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544139715 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.000544171138915087 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712503842 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539113321 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592216977 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114907766229 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442083462 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406201692887 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058019935 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529695585332 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838181912 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886018607579 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852056603725 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315751918778 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284957862292 (0.000566452% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169070746543 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200036412 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003612560501 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227288611 (0.000246234% change) large trace change predicted (0.00070207%) linmin: converged after 2 iterations. iteration 117: trace = 0.000543595206326143 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933071971586 (0.000349365% change) large trace change predicted (0.000866677%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960215079 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874256682823 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826997831447 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806840891817 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794453868415 (0.000227879% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840457302 (0.00025044% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863210344 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742829779268 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740401790574 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593115329 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.000543572790346762 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.000543572107707877 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720964946805 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898524353 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719753635386 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717431546774 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717316753365 (2.11184e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196483976 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102019958 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714959753316 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714921653738 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 1.5941858291625977 total elapsed time for run: 1.6151840686798096 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.020817279815673828 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396277298196032 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327673301526953 (5.0371% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313400658270514 (1.08082% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142972906090024 (13.8764% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057309468688262 (7.78659% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01012016037562422 (4.3776% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009881894700150705 (2.38241% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008856077207284273 (10.9491% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008528897112084771 (3.76394% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008344493547057269 (2.18573% change) large trace change predicted (6.06381%) linmin: converged after 8 iterations. iteration 11: trace = 0.00709922557133943 (16.1265% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006865992373909098 (3.3402% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00667070716336517 (2.88527% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005899156603810359 (12.2762% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005725769822040825 (2.98302% change) linmin: converged after 5 iterations. iteration 16: trace = 0.00539423304116969 (5.96289% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004591812089420767 (16.0708% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004453132510518883 (3.06646% change) linmin: converged after 3 iterations. iteration 19: trace = 0.0043984412398307 (1.23574% change) large trace change predicted (8.74475%) linmin: converged after 6 iterations. iteration 20: trace = 0.003757498063037512 (15.7172% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003307049624967148 (12.7524% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003248169195360888 (1.79644% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003119780808133442 (4.03233% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002818482765276222 (10.1477% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002740289464262643 (2.81333% change) linmin: converged after 3 iterations. iteration 26: trace = 0.00270351463649121 (1.35107% change) large trace change predicted (6.74778%) linmin: converged after 5 iterations. iteration 27: trace = 0.002467359186263997 (9.13406% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002062259933105779 (17.8867% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001961187580386025 (5.02417% change) linmin: converged after 3 iterations. iteration 30: trace = 0.00193578544979527 (1.30369% change) large trace change predicted (3.47972%) linmin: converged after 4 iterations. iteration 31: trace = 0.001861930146329831 (3.88946% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001721746455457411 (7.82346% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001674547855832951 (2.77942% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001650063402954299 (1.47292% change) large trace change predicted (5.17495%) linmin: converged after 4 iterations. iteration 35: trace = 0.001553854523938385 (6.0057% change) linmin: converged after 5 iterations. iteration 36: trace = 0.0013586997362364 (13.4009% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001283533375587925 (5.68961% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001259889740986728 (1.8592% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001218118516407198 (3.37135% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001141570259081311 (6.488% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001107914320233146 (2.99232% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001096696612111238 (1.01766% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001076085113469039 (1.89725% change) large trace change predicted (5.44733%) linmin: converged after 4 iterations. iteration 44: trace = 0.001012315861070839 (6.10699% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009596843822326448 (5.33788% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009433542370130086 (1.71622% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009300901235573978 (1.41601% change) large trace change predicted (3.90141%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008922288348140867 (4.15529% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008402236786229412 (6.00365% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008215818528813706 (2.24356% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008154335389666699 (0.751161% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008063590029066405 (1.11907% change) large trace change predicted (2.62064%) linmin: converged after 3 iterations. iteration 53: trace = 0.000784679285627276 (2.72523% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007683178497647853 (2.10708% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007629615245071278 (0.699588% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007583989713863186 (0.599799% change) large trace change predicted (1.77635%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007447092847860105 (1.82152% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007205764148124102 (3.29395% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007087748391309585 (1.65132% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007038858193820162 (0.692172% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006965316867005097 (1.05028% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006821310634030704 (2.08907% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006732272502904371 (1.31387% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006706397275818065 (0.385086% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006687664955410615 (0.279711% change) large trace change predicted (0.773811%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006635582625708599 (0.781826% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006532764523625959 (1.56159% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006474716356820618 (0.892535% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006450938580190604 (0.367916% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006443641358037181 (0.113183% change) large trace change predicted (0.596167%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006405250771864316 (0.59757% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006341861459372158 (0.994567% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006251090623054226 (1.44161% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006222593712665974 (0.456912% change) large trace change predicted (3.61349%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005998530474231043 (3.66682% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005843776721890352 (2.61357% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005836056887255876 (0.132191% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005831765145361052 (0.0735654% change) large trace change predicted (0.940528%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005777134988165349 (0.941177% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005735210833021604 (0.728334% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005729501811559869 (0.0995929% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005724824656883952 (0.0816662% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005716748811385784 (0.141167% change) large trace change predicted (0.473833%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005689973367339936 (0.469468% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005688164359377647 (0.031798% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005685241086940798 (0.0514054% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005680601706818089 (0.0816372% change) linmin: converged after 4 iterations. iteration 88: trace = 0.0005674452625844518 (0.108306% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005673892515685546 (0.00987122% change) large trace change predicted (0.0466111%) linmin: converged after 2 iterations. iteration 90: trace = 0.0005671245107262821 (0.0466704% change) large trace change predicted (0.149567%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005662735341356124 (0.150164% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005659201341638468 (0.0624275% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005658242203232498 (0.0169497% change) large trace change predicted (0.0719274%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005654172724868971 (0.0719471% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005652372676748337 (0.0318408% change) large trace change predicted (0.0910646%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005647224630752311 (0.0911191% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005645479868322314 (0.0309007% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005643908579176677 (0.0278366% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005641061419379506 (0.0504593% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005639955170998181 (0.0196126% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005639228619948049 (0.012883% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005638118885828181 (0.0196808% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005638049972376612 (0.00122228% change) large trace change predicted (0.0112905%) linmin: converged after 3 iterations. iteration 104: trace = 0.000563741348090978 (0.0112899% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005637272110879148 (0.00250774% change) large trace change predicted (0.0167509%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005636328809173238 (0.0167347% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005636302139017935 (0.000473184% change) large trace change predicted (0.011255%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005635668014344931 (0.0112514% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0005635622082828316 (0.000815018% change) large trace change predicted (0.0100084%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005635057669609738 (0.0100156% change) linmin: converged after 2 iterations. iteration 111: trace = 0.00056350377643949 (0.00035324% change) large trace change predicted (0.0026277%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005634889662202317 (0.00262827% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005634882607326959 (0.0001252% change) large trace change predicted (0.00291264%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005634718475843336 (0.00291282% change) linmin: converged after 2 iterations. iteration 115: trace = 0.000563471473682306 (6.63568e-05% change) large trace change predicted (0.000998649%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005634658467070714 (0.000998631% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005634622717780786 (0.000634456% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005634592314072744 (0.000539589% change) linmin: converged after 2 iterations. iteration 119: trace = 0.000563458682472936 (9.74222e-05% change) large trace change predicted (0.00131778%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005634512572225822 (0.00131781% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0005634495415995996 (0.000304485% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005634488966648186 (0.000114462% change) large trace change predicted (0.000368054%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005634468229275617 (0.000368044% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005634443003502016 (0.000447706% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005634433325083096 (0.000171773% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005634428207723426 (9.0823e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005634422976099028 (9.28511e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005634420043699649 (5.20444e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005634418467569232 (2.79733e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005634418013849199 (8.05265e-06% change) large trace change predicted (3.45757e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005634416065711356 (3.45757e-05% change) linmin: converged after 1 iterations. iteration 132: trace = 0.0005634415918236759 (2.61739e-06% change) large trace change predicted (2.99597e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005634414230192376 (2.99595e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005634414058051536 (3.05517e-06% change) large trace change predicted (2.45802e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005634412673104819 (2.45801e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005634412596039213 (1.36777e-06% change) large trace change predicted (3.39941e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0005634410680651408 (3.39945e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0005634410555334571 (2.22413e-06% change) large trace change predicted (8.09133e-06%) linmin: converged after 2 iterations. iteration 139: trace = 0.0005634410099435813 (8.09133e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0005634410032175083 (1.19375e-06% change) large trace change predicted (4.4635e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.000563440978068321 (4.4635e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.0005634409654746123 (2.23514e-06% change) large trace change predicted (1.00797e-05%) linmin: converged after 2 iterations. iteration 143: trace = 0.0005634409086817515 (1.00796e-05% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0005634408822215097 (4.69619e-06% change) linmin: converged after 2 iterations. iteration 145: trace = 0.0005634408794977938 (4.83408e-07% change) Finished solving for bands 1 to 1 after 145 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313486 elapsed time for k point: 1.6615667343139648 total elapsed time for run: 1.682464361190796 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.020778417587280273 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627177779028 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988499 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801407 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373180282 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177235838 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408583706 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993403631627 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.00884606860699742 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042220623142 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268738170503 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915361772975 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447678174737 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462855997668 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909905737 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406619582 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169348201 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608209211533 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220917144585 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098766553369 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892431338468 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527290234 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899052209 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728599801 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266522301 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905815480267 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.00267421865267098 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971015343957 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189827492122 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583290291 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976268273 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993351495 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476684772 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286588372 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.00162212353846726 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074815194 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884754406 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316543614 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184806099943 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709701322 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433631851 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949767778 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450481507 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573889205 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.000987654075490723 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335330606799 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905773477672 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436033594644 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705373985596 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908946873092 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010812007925 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809421373027 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096984670276 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285023079971 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271940766 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295760542 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.000735445106129436 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268494591958 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564990456095 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159289595595 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152964484 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507191662845 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995941222179 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439269014204 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237795029088 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202352882 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681506328093 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484777303226 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136835319411 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576729488 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627764267 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134424003 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344729665452 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.000603981954419333 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481786473583 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597180641 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393604208 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885229993 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.000562415923394037 (0.152949% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060720153 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786655223 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947034711 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164462127 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192024563 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986240051 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231630805 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397422189 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715628124 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960574551 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526469118244 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290928321 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158856044 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310332892 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505698390806 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751207599 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561753033 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125062633 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773031507 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544619962 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389612075 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.000544156271294873 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539590619 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592691597 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908236263 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442541088 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202166402 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.000543837005849422 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.00054375296960569 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838650881 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019088214 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057076075 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752378057 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.000543628495833434 (0.000566452% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071221503 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200508481 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613024695 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.00054359902277604 (0.000246234% change) large trace change predicted (0.00070207%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063738925 (0.000702064% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072443487 (0.000349365% change) large trace change predicted (0.000866677%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960680581 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.000543587425715455 (0.000215301% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998310611 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841363688 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454335172 (0.000227879% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840929269 (0.00025044% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863686984 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.000543574283025111 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402260685 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593587202 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903939817 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077550598 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965418604 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898996214 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754107307 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432018629 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317225199 (2.11184e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196955777 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102491875 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960225191 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922125592 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 1.5947434902191162 total elapsed time for run: 1.6156048774719238 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.02070331573486328 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627453234668 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327678895732447 (5.03648% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313363091101527 (1.0841% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143038892768257 (13.8678% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057238111562175 (7.79909% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011752134402339 (4.39693% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009879432781792784 (2.38125% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008851061111235443 (10.9807% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008522952955039943 (3.777% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008335408564587157 (2.22494% change) large trace change predicted (6.08184%) linmin: converged after 8 iterations. iteration 11: trace = 0.007087003151517538 (16.1895% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006854146058075714 (3.34057% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006657474931425683 (2.91114% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005882487151493496 (12.3603% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005708413868679718 (3.00362% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005376848409041344 (5.98209% change) linmin: converged after 6 iterations. iteration 17: trace = 0.00457612172626655 (16.0902% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004438061818413294 (3.06317% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004383166021831588 (1.24463% change) large trace change predicted (8.78014%) linmin: converged after 6 iterations. iteration 20: trace = 0.003741707625568412 (15.79% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003291730464757307 (12.7954% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003232963613557831 (1.80137% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003104832650775114 (4.04339% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002803732823776829 (10.192% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002725499795538904 (2.8298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002688778928080108 (1.35645% change) large trace change predicted (6.77346%) linmin: converged after 5 iterations. iteration 27: trace = 0.002453217043215239 (9.16227% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002048239457912798 (17.9932% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001947146666273377 (5.06048% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001921857262708874 (1.30728% change) large trace change predicted (3.48607%) linmin: converged after 4 iterations. iteration 31: trace = 0.001848427637529006 (3.89518% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001707910804298038 (7.90233% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001660392701843686 (2.82149% change) linmin: converged after 3 iterations. iteration 34: trace = 0.00163601239840866 (1.47921% change) large trace change predicted (5.18152%) linmin: converged after 4 iterations. iteration 35: trace = 0.001540609388502094 (6.00657% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001345179666595496 (13.5443% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001269484311003762 (5.79006% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001245954740142621 (1.87081% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001204877461010303 (3.35211% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001128884041269191 (6.51253% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001095136827364618 (3.03479% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001083916132155135 (1.02987% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001063426118918576 (1.90841% change) large trace change predicted (5.48869%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009999651604062471 (6.15113% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009474780947498853 (5.39036% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009311870209373992 (1.73432% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009179318604283913 (1.43367% change) large trace change predicted (3.95373%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008800680622398012 (4.21177% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008282748494867434 (6.06356% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0008098098649477344 (2.25446% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008037279076113921 (0.753866% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007947097632398075 (1.12837% change) large trace change predicted (2.65329%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007730802282040687 (2.75924% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007567571125414575 (2.13397% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007514269868481479 (0.706827% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007468879959388648 (0.605879% change) large trace change predicted (1.79868%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007332382938007743 (1.8444% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007091847743146908 (3.33515% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006974601200147461 (1.66704% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006926125256076869 (0.697459% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006853107693573751 (1.05982% change) linmin: converged after 4 iterations. iteration 62: trace = 0.000671041459945672 (2.10407% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006622634864375952 (1.31672% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006597098242553501 (0.386341% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006578341892683148 (0.284717% change) large trace change predicted (0.792077%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006525900725420602 (0.800369% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006423889616404095 (1.57549% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006367222354317201 (0.886041% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006343807372759285 (0.36842% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006336539383493083 (0.114634% change) large trace change predicted (0.602878%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006298361502186103 (0.604324% change) large trace change predicted (1.59666%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006197950782675687 (1.60705% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006145237767944091 (0.854123% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006094352908307006 (0.83148% change) large trace change predicted (3.28752%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005894510813956783 (3.3338% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005738959982053503 (2.67419% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005734237191068048 (0.0823274% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005728368909046505 (0.10239% change) large trace change predicted (0.937866%) linmin: converged after 3 iterations. iteration 79: trace = 0.000567486040037967 (0.93848% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005634781462080756 (0.708757% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005628279215136787 (0.115461% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005624017587854871 (0.0757468% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005615784927454887 (0.146491% change) large trace change predicted (0.462977%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005590077500627017 (0.458821% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005587368022595812 (0.0484812% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005585444875647514 (0.0344255% change) large trace change predicted (0.09806%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005579974550826372 (0.0979869% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005574604311141807 (0.0962876% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005573550114434695 (0.0189125% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005572367121359686 (0.0212274% change) large trace change predicted (0.173746%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005562649121687992 (0.174548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005560155450844058 (0.0448389% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005558214414836558 (0.0349158% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005556746092705634 (0.0264206% change) large trace change predicted (0.0768704%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005552475305165157 (0.0768873% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005549565391540904 (0.0524212% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005545759625779597 (0.0686012% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005545580258732852 (0.00323436% change) large trace change predicted (0.0788885%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005541184642615504 (0.0792948% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005540827416440739 (0.00644696% change) large trace change predicted (0.0221441%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005539598645880703 (0.0221791% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005539509641395757 (0.00160671% change) large trace change predicted (0.0194904%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005538429307992983 (0.0195042% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005538212510821321 (0.00391449% change) large trace change predicted (0.00948118%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005537687493452686 (0.00948036% change) linmin: converged after 3 iterations. iteration 106: trace = 0.0005537545264275882 (0.00256842% change) large trace change predicted (0.0139068%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005536775826949231 (0.0138959% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005536699714183582 (0.00137469% change) large trace change predicted (0.0109183%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005536095419716271 (0.0109149% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005536073766925899 (0.000391121% change) large trace change predicted (0.00997282%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005535521304986603 (0.00997981% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005535500119165714 (0.000382726% change) large trace change predicted (0.00221526%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005535377473214456 (0.00221565% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005535371237614183 (0.00011265% change) large trace change predicted (0.00299101%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005535205665764658 (0.00299121% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005535202706804262 (5.34571e-05% change) large trace change predicted (0.00100099%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005535147301454602 (0.00100097% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005535144229078621 (5.55067e-05% change) large trace change predicted (0.00104748%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005535086249694888 (0.00104748% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005535083269111529 (5.38489e-05% change) large trace change predicted (0.00126845%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005535013059523104 (0.00126845% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005535011997657132 (1.91845e-05% change) large trace change predicted (0.000431366%) linmin: converged after 2 iterations. iteration 123: trace = 0.00055349881220025 (0.000431358% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005534985693850316 (4.38692e-05% change) large trace change predicted (0.000714089%) linmin: converged after 2 iterations. iteration 125: trace = 0.0005534946171050959 (0.000714057% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005534945841831583 (5.94801e-06% change) large trace change predicted (0.000246508%) linmin: converged after 2 iterations. iteration 127: trace = 0.0005534932198247646 (0.000246499% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005534931321703153 (1.58366e-05% change) large trace change predicted (0.000135235%) linmin: converged after 2 iterations. iteration 129: trace = 0.0005534923836579419 (0.000135234% change) linmin: converged after 2 iterations. iteration 130: trace = 0.000553492340182068 (7.85483e-06% change) large trace change predicted (2.09979e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005534922239600062 (2.0998e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005534922081138402 (2.86294e-06% change) large trace change predicted (4.04808e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005534919840565558 (4.04807e-05% change) linmin: converged after 1 iterations. iteration 134: trace = 0.0005534919663682612 (3.19576e-06% change) large trace change predicted (2.36162e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005534918356550628 (2.36161e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005534918255761859 (1.82096e-06% change) large trace change predicted (2.26881e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0005534916999995883 (2.26881e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0005534916950358808 (8.96799e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313822 elapsed time for k point: 1.5823469161987305 total elapsed time for run: 1.6031343936920166 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.020763397216796875 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790279 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988494 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801896 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086767 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201271 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0101149040859568 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404154663 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608223687 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221215156 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739382039 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363907345 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679815538 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857804182 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909942866 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406081246 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169319817 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210164867 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918516833 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767742576 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.00372589243083272 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527389453 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899328165 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00308991772848738 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266768738 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816118349 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653177404 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014289085 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826761961 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583193365 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976220695 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.0018349199930768 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476529206 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286606667 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538427454 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.00152736607425854 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884084482 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316149218 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805762305 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709350046 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433409289 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949678479 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450401997 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573724115 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752109476 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329524144 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905773002629 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032749732 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.000867970537159007 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945079177 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811162025 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420659773 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983664234 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021830428 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271362821 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295428245 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060880855 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493595565 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989281035 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288737383 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152147098 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190674124 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940317702 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268574888 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794717881 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202001758 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505722599 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776718929 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136835024171 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576481439 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627507704 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134169835 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731385705 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544207657 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801350744 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597473873 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393929733 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885222873 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234866096 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060932103 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786978095 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947012873 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.000552322216445384 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192018611 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986455924 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231663138 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397367422 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715652851 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960760505 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526469120869 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290831186 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158846766 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310625941 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505698381007 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751037172 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561753895 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125567656 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773017218 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544603723 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389649402 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713015268 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.000544028253958125 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.000544022759268985 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908246351 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442574207 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202167129 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492933 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696061074 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838660002 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019067743 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.000543685205707862 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752406139 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958338369 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071216626 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200511557 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613042874 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227764199 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063727388 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072447291 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960696269 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257158549 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998294631 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841367132 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454348283 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840932657 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863677936 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830254591 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402267469 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593590623 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903942446 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077554091 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.000543572096542216 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898999652 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754110557 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432022111 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317228773 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196959256 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102495245 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960228664 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922129075 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 1.5962841510772705 total elapsed time for run: 1.6171283721923828 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.02089858055114746 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790279 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988494 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801896 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086767 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201271 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0101149040859568 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404154663 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608223687 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221215156 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739382039 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363907345 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679815538 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857804182 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909942866 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406081246 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169319817 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210164867 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918516833 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767742576 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.00372589243083272 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527389453 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899328165 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00308991772848738 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266768738 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816118349 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653177404 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014289085 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826761961 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583193365 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976220695 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.0018349199930768 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476529206 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286606667 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538427454 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.00152736607425854 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884084482 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316149218 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805762305 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709350046 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433409289 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949678479 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450401997 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573724115 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752109476 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329524144 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905773002629 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032749732 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.000867970537159007 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945079177 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811162025 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420659773 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983664234 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021830428 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271362821 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295428245 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060880855 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493595565 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989281035 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288737383 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152147098 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190674124 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940317702 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268574888 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794717881 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202001758 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505722599 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776718929 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136835024171 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576481439 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627507704 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134169835 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731385705 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544207657 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801350744 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597473873 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393929733 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885222873 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234866096 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060932103 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786978095 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947012873 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.000552322216445384 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192018611 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986455924 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231663138 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397367422 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715652851 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960760505 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526469120869 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290831186 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158846766 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310625941 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505698381007 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751037172 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561753895 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125567656 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773017218 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544603723 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389649402 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713015268 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.000544028253958125 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.000544022759268985 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908246351 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442574207 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202167129 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492933 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696061074 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838660002 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019067743 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.000543685205707862 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752406139 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958338369 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071216626 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200511557 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613042874 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227764199 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063727388 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072447291 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960696269 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257158549 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998294631 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841367132 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454348283 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840932657 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863677936 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830254591 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402267469 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593590623 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903942446 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077554091 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.000543572096542216 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898999652 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754110557 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432022111 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317228773 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196959256 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102495245 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960228664 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922129075 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 .elapsed time for k point: 1.5949981212615967 total elapsed time for run: 1.615971326828003 done /tmp/meepW1wGQn/test_point_defect_state-0: 95.15s /tmp/meepW1wGQn/test_poynting-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004801034927368164 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3564643859863281 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.013239860534668 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.22243976593017578 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20596051216125488 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.2382345199584961 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.37105751037597656 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.2801682949066162 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.2383103370666504 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.2055213451385498 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.19686126708984375 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.19616937637329102 Outputting fields to /tmp/meepW1wGQn/test_poynting-0-flux.v.k11.b01.te.h5... Outputting fields to /tmp/meepW1wGQn/test_poynting-0-flux.v.k11.b02.te.h5... Outputting fields to /tmp/meepW1wGQn/test_poynting-0-flux.v.k11.b03.te.h5... Outputting fields to /tmp/meepW1wGQn/test_poynting-0-flux.v.k11.b04.te.h5... Outputting fields to /tmp/meepW1wGQn/test_poynting-0-flux.v.k11.b05.te.h5... Outputting fields to /tmp/meepW1wGQn/test_poynting-0-flux.v.k11.b06.te.h5... Outputting fields to /tmp/meepW1wGQn/test_poynting-0-flux.v.k11.b07.te.h5... Outputting fields to /tmp/meepW1wGQn/test_poynting-0-flux.v.k11.b08.te.h5... solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.15538358688354492 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.18028712272644043 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.24679970741271973 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2886960506439209 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 ..elapsed time for k point: 0.6287438869476318 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.465971946716309 done /tmp/meepW1wGQn/test_poynting-0: 5.48s /tmp/meepW1wGQn/test_resolution-0 ======================== /tmp/meepW1wGQn/test_resolution-0: 0.00s /tmp/meepW1wGQn/test_run_te-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.00475621223449707 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3565552234649658 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.017961025238037 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.22207427024841309 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20647382736206055 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.23851537704467773 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.371856689453125 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.2809886932373047 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.23905444145202637 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.20599079132080078 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.197434663772583 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.19664788246154785 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.15538287162780762 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.18069148063659668 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.24722623825073242 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2893214225769043 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.6294898986816406 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.041815757751465 done /tmp/meepW1wGQn/test_run_te-0: 5.04s /tmp/meepW1wGQn/test_run_te_no_geometry-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-07 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0036056041717529297 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 28.19057071787515 (190.727% change) linmin: converged after 7 iterations. iteration 2: trace = 10.91238426133212 (88.3728% change) linmin: converged after 5 iterations. iteration 3: trace = 10.0602410513997 (8.12624% change) linmin: converged after 4 iterations. iteration 4: trace = 10.00201229636662 (0.580481% change) linmin: converged after 4 iterations. iteration 5: trace = 10.00007845652677 (0.0193364% change) linmin: converged after 2 iterations. iteration 6: trace = 10.0000012998729 (0.000771563% change) linmin: converged after 2 iterations. iteration 7: trace = 10.00000004221536 (1.25766e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.00000000175005 (4.04653e-07% change) Finished solving for bands 2 to 8 after 8 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 elapsed time for k point: 0.06059598922729492 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 5 iterations. iteration 1: trace = 9.880000133291688 (2.3702% change) linmin: converged after 2 iterations. iteration 2: trace = 9.880000004055379 (1.30806e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.1, 0.9, 1.00499, 1.00499, 1.1, 1.34536, 1.34536, 1.48661 elapsed time for k point: 0.023126840591430664 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.920000000339344 (3.76491e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.2, 0.8, 1.0198, 1.0198, 1.2, 1.28062, 1.28062, 1.56205 elapsed time for k point: 0.014409065246582031 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.12000000005403 (2.56722e-09% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.3, 0.7, 1.04403, 1.04403, 1.22066, 1.22066, 1.3, 1.64012 elapsed time for k point: 0.014456987380981445 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.48000000000711 (3.43847e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.4, 0.6, 1.07703, 1.07703, 1.16619, 1.16619, 1.4, 1.72047 elapsed time for k point: 0.014394760131835938 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.99999999989866 (8.98061e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.5, 0.5, 1.11803, 1.11803, 1.11803, 1.11803, 1.5, 1.80278 elapsed time for k point: 0.014456033706665039 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 10.88000039707306 (2.97958% change) linmin: converged after 2 iterations. iteration 2: trace = 10.87999995545265 (4.05901e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.509902, 0.509902, 1.02956, 1.02956, 1.2083, 1.2083, 1.50333, 1.74929 elapsed time for k point: 0.022754669189453125 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 10.72763995099904 (1.77719% change) linmin: converged after 2 iterations. iteration 2: trace = 10.72763986570886 (7.95051e-07% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.538516, 0.566775, 0.956971, 0.9598, 1.3061, 1.30974, 1.52004, 1.59611 elapsed time for k point: 0.02278304100036621 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.85836182207222 (1.70315% change) linmin: converged after 4 iterations. iteration 2: trace = 10.75311149782958 (0.974023% change) linmin: converged after 4 iterations. iteration 3: trace = 10.72171121557392 (0.292438% change) linmin: converged after 4 iterations. iteration 4: trace = 10.72014292833275 (0.0146283% change) linmin: converged after 2 iterations. iteration 5: trace = 10.72002114849328 (0.001136% change) linmin: converged after 2 iterations. iteration 6: trace = 10.72000263415469 (0.000172708% change) linmin: converged after 2 iterations. iteration 7: trace = 10.72000060484828 (1.89301e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.72000017693059 (3.99177e-06% change) Finished solving for bands 1 to 8 after 8 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.583095, 0.583095, 0.860233, 0.860233, 1.39284, 1.39284, 1.52971, 1.52971 elapsed time for k point: 0.07242059707641602 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 11.28000006011032 (3.51788e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.640312, 0.640312, 0.781025, 0.781025, 1.48661, 1.48661, 1.55242, 1.55242 elapsed time for k point: 0.014431238174438477 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 12.00000000012884 (4.02124e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.707107, 0.707107, 0.707107, 0.707107, 1.58114, 1.58114, 1.58114, 1.58114 elapsed time for k point: 0.014461517333984375 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 11.045298969444 (2.80917% change) linmin: converged after 2 iterations. iteration 2: trace = 11.04529779228855 (1.06575e-05% change) linmin: converged after 2 iterations. iteration 3: trace = 11.04529660698947 (1.07313e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 11.04529541345037 (1.08059e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 11.04529421157339 (1.08813e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 11.04529300125893 (1.09577e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 11.04529178240583 (1.1035e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 11.04529055491111 (1.11133e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 11.04528931867009 (1.11925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 11.04528807357625 (1.12726e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 11.04528681952128 (1.13538e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 11.04528555639496 (1.14359e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 11.0452842840852 (1.1519e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 11.04528300247786 (1.16032e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 11.04528171145692 (1.16884e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 11.04528041090421 (1.17747e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 11.04527910069951 (1.18621e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 11.04527778072045 (1.19506e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 11.04527645084247 (1.20402e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 11.04527511093875 (1.2131e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 11.04527376088023 (1.2223e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 11.04527240053543 (1.23161e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 11.04527102977056 (1.24104e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 11.04526964844928 (1.2506e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 11.04526825643287 (1.26028e-05% change) linmin: converged after 2 iterations. iteration 26: trace = 11.04526685357988 (1.27009e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 11.04526543974637 (1.28004e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 11.04526401478566 (1.29011e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 11.04526257854829 (1.30032e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 11.04526113088204 (1.31067e-05% change) linmin: converged after 2 iterations. iteration 31: trace = 11.04525967163177 (1.32116e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 11.04525820063943 (1.33179e-05% change) linmin: converged after 2 iterations. iteration 33: trace = 11.04525671774386 (1.34256e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 11.04525522278093 (1.35349e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 11.04525371558329 (1.36457e-05% change) linmin: converged after 2 iterations. iteration 36: trace = 11.04525219598033 (1.3758e-05% change) linmin: converged after 2 iterations. iteration 37: trace = 11.04525066379816 (1.38719e-05% change) linmin: converged after 2 iterations. iteration 38: trace = 11.04524911885947 (1.39874e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 11.0452475609835 (1.41045e-05% change) linmin: converged after 2 iterations. iteration 40: trace = 11.0452459899859 (1.42233e-05% change) linmin: converged after 2 iterations. iteration 41: trace = 11.04524440567872 (1.43438e-05% change) linmin: converged after 2 iterations. iteration 42: trace = 11.04524280787022 (1.4466e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 11.04524119636488 (1.459e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 11.04523957096293 (1.47159e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 11.04523793146124 (1.48435e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 11.04523627765221 (1.49731e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 11.04523460932414 (1.51045e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 11.04523292626091 (1.52379e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 11.04523122824206 (1.53733e-05% change) linmin: converged after 3 iterations. iteration 50: trace = 11.04522951504257 (1.55108e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 11.04522778643284 (1.56503e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 11.0452260421785 (1.57919e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 11.04522428204031 (1.59357e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 11.04522250577408 (1.60818e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 11.04522071313061 (1.623e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 11.04521890385529 (1.63806e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 11.04521707768835 (1.65336e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 11.04521523436448 (1.66889e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 11.04521337361281 (1.68467e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 11.04521149515662 (1.7007e-05% change) linmin: converged after 3 iterations. iteration 61: trace = 11.04520959871349 (1.71698e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 11.04520768399487 (1.73353e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 11.04520575070607 (1.75034e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 11.04520379854618 (1.76743e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 11.04520182720775 (1.78479e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 11.04519983637682 (1.80244e-05% change) linmin: converged after 3 iterations. iteration 67: trace = 11.04519782573258 (1.82038e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 11.04519579494745 (1.83861e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 11.04519374368666 (1.85715e-05% change) resetting CG direction... large trace change predicted (0.52935%) linmin: converged after 4 iterations. iteration 70: trace = 10.98570566240587 (0.540042% change) linmin: converged after 4 iterations. iteration 71: trace = 10.96854023015211 (0.156375% change) linmin: converged after 4 iterations. iteration 72: trace = 10.9613032674235 (0.066001% change) linmin: converged after 3 iterations. iteration 73: trace = 10.96015412895224 (0.0104841% change) linmin: converged after 2 iterations. iteration 74: trace = 10.9600336681638 (0.00109909% change) linmin: converged after 2 iterations. iteration 75: trace = 10.96000289704672 (0.000280758% change) linmin: converged after 2 iterations. iteration 76: trace = 10.96000031343331 (2.35731e-05% change) linmin: converged after 2 iterations. iteration 77: trace = 10.96000007994673 (2.13035e-06% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.565685, 0.72111, 0.72111, 0.848528, 1.45602, 1.45602, 1.52315, 1.52315 elapsed time for k point: 0.642228364944458 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.24000001500887 (1.09258e-06% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.424264, 0.761577, 0.761577, 0.989949, 1.33417, 1.33417, 1.47648, 1.47648 elapsed time for k point: 0.014413118362426758 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.840000001756971 (1.78163e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.282843, 0.824621, 0.824621, 1.13137, 1.21655, 1.21655, 1.44222, 1.44222 elapsed time for k point: 0.014402151107788086 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.760000000165839 (2.02392e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.141421, 0.905539, 0.905539, 1.10454, 1.10454, 1.27279, 1.42127, 1.42127 elapsed time for k point: 0.014379501342773438 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.00000000001522 (1.76502e-09% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 .elapsed time for k point: 0.011753559112548828 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.7071067811865476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.5000000000350694 at Vector3<0.5, 0.0, 0.0> to 1.0000000000464655 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.7071067811884205 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555273 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7071067811901185 at Vector3<0.5, 0.5, 0.0> to 1.1313708499266786 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 1.0000000000010276 at Vector3<0.0, 0.0, 0.0> to 1.5811388300846367 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.1180339887687112 at Vector3<0.5, 0.0, 0.0> to 1.5811388300858473 at Vector3<0.5, 0.5, 0.0> Band 7 range: 1.2806248475164042 at Vector3<0.2, 0.0, 0.0> to 1.581138830089241 at Vector3<0.5, 0.5, 0.0> Band 8 range: 1.4142135623752823 at Vector3<0.0, 0.0, 0.0> to 1.8027756376524433 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 0.9902553558349609 done /tmp/meepW1wGQn/test_run_te_no_geometry-0: 0.99s /tmp/meepW1wGQn/test_run_te_with_mu_material-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Initializing mu function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.006396293640136719 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 37.07995427807207 (187.597% change) linmin: converged after 9 iterations. iteration 2: trace = 15.08208968479118 (84.3443% change) linmin: converged after 5 iterations. iteration 3: trace = 12.99875116716004 (14.8381% change) linmin: converged after 6 iterations. iteration 4: trace = 11.69137614546128 (10.5903% change) linmin: converged after 7 iterations. iteration 5: trace = 10.73396991771789 (8.53861% change) linmin: converged after 6 iterations. iteration 6: trace = 10.10267619621744 (6.05946% change) linmin: converged after 7 iterations. iteration 7: trace = 9.256976064825709 (8.73673% change) linmin: converged after 5 iterations. iteration 8: trace = 8.850990942039086 (4.48405% change) linmin: converged after 5 iterations. iteration 9: trace = 8.599260229487324 (2.88512% change) linmin: converged after 4 iterations. iteration 10: trace = 8.316373992720981 (3.34467% change) linmin: converged after 7 iterations. iteration 11: trace = 8.106938037446522 (2.55047% change) linmin: converged after 5 iterations. iteration 12: trace = 7.905014354217037 (2.52216% change) linmin: converged after 5 iterations. iteration 13: trace = 7.660044021240785 (3.1477% change) linmin: converged after 5 iterations. iteration 14: trace = 7.496221787565968 (2.16178% change) linmin: converged after 6 iterations. iteration 15: trace = 7.355401165944828 (1.89637% change) linmin: converged after 3 iterations. iteration 16: trace = 7.251380376876415 (1.42428% change) linmin: converged after 4 iterations. iteration 17: trace = 7.181279623672041 (0.971418% change) linmin: converged after 4 iterations. iteration 18: trace = 7.129535993258003 (0.72314% change) linmin: converged after 4 iterations. iteration 19: trace = 7.09229937837994 (0.523654% change) linmin: converged after 4 iterations. iteration 20: trace = 7.06288091330721 (0.415657% change) linmin: converged after 4 iterations. iteration 21: trace = 7.042009124022193 (0.295951% change) linmin: converged after 4 iterations. iteration 22: trace = 7.015249892389707 (0.380718% change) linmin: converged after 4 iterations. iteration 23: trace = 6.993639024960911 (0.308531% change) linmin: converged after 11 iterations. iteration 24: trace = 6.975094419515927 (0.265516% change) linmin: converged after 9 iterations. iteration 25: trace = 6.96129066646355 (0.198097% change) linmin: converged after 4 iterations. iteration 26: trace = 6.952090592990023 (0.132248% change) linmin: converged after 4 iterations. iteration 27: trace = 6.944594432965414 (0.107884% change) linmin: converged after 4 iterations. iteration 28: trace = 6.939427074961211 (0.074436% change) linmin: converged after 4 iterations. iteration 29: trace = 6.9353356288424 (0.0589768% change) linmin: converged after 4 iterations. iteration 30: trace = 6.931440742457116 (0.0561758% change) linmin: converged after 3 iterations. iteration 31: trace = 6.927493557556019 (0.0569623% change) linmin: converged after 4 iterations. iteration 32: trace = 6.924575578770471 (0.0421306% change) linmin: converged after 3 iterations. iteration 33: trace = 6.9219560909935 (0.037836% change) linmin: converged after 3 iterations. iteration 34: trace = 6.919902275539607 (0.0296754% change) linmin: converged after 3 iterations. iteration 35: trace = 6.918509941632903 (0.0201227% change) linmin: converged after 3 iterations. iteration 36: trace = 6.917294696588137 (0.0175667% change) linmin: converged after 3 iterations. iteration 37: trace = 6.916553713011644 (0.0107126% change) linmin: converged after 3 iterations. iteration 38: trace = 6.915921952244806 (0.00913446% change) linmin: converged after 3 iterations. iteration 39: trace = 6.915298971151212 (0.00900833% change) linmin: converged after 3 iterations. iteration 40: trace = 6.914744470888281 (0.00801878% change) linmin: converged after 3 iterations. iteration 41: trace = 6.914095942971244 (0.00937935% change) linmin: converged after 3 iterations. iteration 42: trace = 6.913507656285432 (0.00850887% change) linmin: converged after 3 iterations. iteration 43: trace = 6.913069239306664 (0.00634166% change) linmin: converged after 3 iterations. iteration 44: trace = 6.912734881189579 (0.00483673% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912459643176073 (0.00398169% change) linmin: converged after 4 iterations. iteration 46: trace = 6.912146917452288 (0.00452419% change) linmin: converged after 4 iterations. iteration 47: trace = 6.911807830589797 (0.00490579% change) linmin: converged after 3 iterations. iteration 48: trace = 6.911408698635944 (0.00577481% change) linmin: converged after 4 iterations. iteration 49: trace = 6.910951335078642 (0.00661773% change) linmin: converged after 4 iterations. iteration 50: trace = 6.910392907741103 (0.00808065% change) linmin: converged after 3 iterations. iteration 51: trace = 6.909889294158258 (0.00728804% change) linmin: converged after 3 iterations. iteration 52: trace = 6.909402303960663 (0.00704798% change) linmin: converged after 4 iterations. iteration 53: trace = 6.908895116258283 (0.00734081% change) linmin: converged after 4 iterations. iteration 54: trace = 6.908191911702155 (0.0101788% change) linmin: converged after 4 iterations. iteration 55: trace = 6.907108830112276 (0.0156795% change) linmin: converged after 4 iterations. iteration 56: trace = 6.906076216382727 (0.0149511% change) linmin: converged after 4 iterations. iteration 57: trace = 6.904928771303701 (0.0166164% change) linmin: converged after 4 iterations. iteration 58: trace = 6.903780582615068 (0.0166299% change) linmin: converged after 4 iterations. iteration 59: trace = 6.90262462498668 (0.0167452% change) linmin: converged after 4 iterations. iteration 60: trace = 6.900943189482945 (0.0243623% change) linmin: converged after 4 iterations. iteration 61: trace = 6.899190659876474 (0.0253987% change) linmin: converged after 4 iterations. iteration 62: trace = 6.89735129215831 (0.0266642% change) linmin: converged after 4 iterations. iteration 63: trace = 6.895376356626807 (0.0286373% change) linmin: converged after 4 iterations. iteration 64: trace = 6.893892249829074 (0.0215255% change) linmin: converged after 4 iterations. iteration 65: trace = 6.892335261784902 (0.0225876% change) linmin: converged after 4 iterations. iteration 66: trace = 6.89075105619385 (0.0229877% change) linmin: converged after 4 iterations. iteration 67: trace = 6.889435727561733 (0.0190901% change) linmin: converged after 4 iterations. iteration 68: trace = 6.888124770608068 (0.0190303% change) linmin: converged after 4 iterations. iteration 69: trace = 6.886910009073705 (0.0176371% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.884767230527864 (0.0311186% change) linmin: converged after 4 iterations. iteration 71: trace = 6.882633388593526 (0.0309985% change) linmin: converged after 3 iterations. iteration 72: trace = 6.881095115008934 (0.0223526% change) linmin: converged after 3 iterations. iteration 73: trace = 6.879946599287981 (0.0166923% change) linmin: converged after 3 iterations. iteration 74: trace = 6.879316463767169 (0.00915944% change) linmin: converged after 4 iterations. iteration 75: trace = 6.878537082999159 (0.01133% change) linmin: converged after 4 iterations. iteration 76: trace = 6.877914175424384 (0.00905622% change) linmin: converged after 4 iterations. iteration 77: trace = 6.876925951239254 (0.0143691% change) linmin: converged after 4 iterations. iteration 78: trace = 6.875996384237679 (0.0135181% change) linmin: converged after 4 iterations. iteration 79: trace = 6.874607000425496 (0.0202083% change) linmin: converged after 4 iterations. iteration 80: trace = 6.873714381610259 (0.0129851% change) linmin: converged after 4 iterations. iteration 81: trace = 6.872576208220668 (0.0165597% change) linmin: converged after 6 iterations. iteration 82: trace = 6.870977203340978 (0.0232692% change) linmin: converged after 5 iterations. iteration 83: trace = 6.868687859168639 (0.0333246% change) linmin: converged after 4 iterations. iteration 84: trace = 6.867477620109982 (0.0176212% change) linmin: converged after 6 iterations. iteration 85: trace = 6.866565170170094 (0.0132874% change) linmin: converged after 5 iterations. iteration 86: trace = 6.865179369328421 (0.0201839% change) linmin: converged after 9 iterations. iteration 87: trace = 6.862623638604262 (0.0372344% change) linmin: converged after 9 iterations. iteration 88: trace = 6.861124921646308 (0.0218412% change) linmin: converged after 5 iterations. iteration 89: trace = 6.860204108569576 (0.0134216% change) linmin: converged after 5 iterations. iteration 90: trace = 6.858995936852192 (0.0176129% change) linmin: converged after 10 iterations. iteration 91: trace = 6.858118221776952 (0.0127974% change) linmin: converged after 5 iterations. iteration 92: trace = 6.857128031924303 (0.0144393% change) linmin: converged after 4 iterations. iteration 93: trace = 6.856378783382811 (0.0109272% change) linmin: converged after 3 iterations. iteration 94: trace = 6.855983887675968 (0.0057597% change) linmin: converged after 3 iterations. iteration 95: trace = 6.855775832155479 (0.0030347% change) linmin: converged after 3 iterations. iteration 96: trace = 6.855523308544544 (0.00368344% change) linmin: converged after 4 iterations. iteration 97: trace = 6.855274951901251 (0.00362279% change) linmin: converged after 3 iterations. iteration 98: trace = 6.855160804170061 (0.00166512% change) linmin: converged after 4 iterations. iteration 99: trace = 6.855076131711495 (0.00123517% change) linmin: converged after 3 iterations. iteration 100: trace = 6.854953018327778 (0.00179596% change) linmin: converged after 4 iterations. iteration 101: trace = 6.854818093503058 (0.0019683% change) linmin: converged after 4 iterations. iteration 102: trace = 6.854758809207134 (0.00086486% change) linmin: converged after 4 iterations. iteration 103: trace = 6.854718950881781 (0.000581471% change) linmin: converged after 5 iterations. iteration 104: trace = 6.854683879910325 (0.000511634% change) linmin: converged after 4 iterations. iteration 105: trace = 6.854645199835948 (0.000564288% change) linmin: converged after 7 iterations. iteration 106: trace = 6.854612594113281 (0.000475675% change) linmin: converged after 3 iterations. iteration 107: trace = 6.854584016065227 (0.000416918% change) linmin: converged after 3 iterations. iteration 108: trace = 6.854554270819281 (0.000433948% change) linmin: converged after 10 iterations. iteration 109: trace = 6.854529730148636 (0.000358021% change) linmin: converged after 3 iterations. iteration 110: trace = 6.854510325653206 (0.000283091% change) linmin: converged after 4 iterations. iteration 111: trace = 6.854489440545666 (0.000304692% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854472899500067 (0.000241317% change) linmin: converged after 4 iterations. iteration 113: trace = 6.854456195154586 (0.0002437% change) linmin: converged after 6 iterations. iteration 114: trace = 6.854435502023324 (0.000301894% change) linmin: converged after 4 iterations. iteration 115: trace = 6.854411316932988 (0.000352839% change) linmin: converged after 4 iterations. iteration 116: trace = 6.854399034345057 (0.000179193% change) linmin: converged after 4 iterations. iteration 117: trace = 6.854391104126584 (0.000115695% change) large trace change predicted (0.000265236%) linmin: converged after 10 iterations. iteration 118: trace = 6.854372904978077 (0.000265511% change) linmin: converged after 3 iterations. iteration 119: trace = 6.854352889778947 (0.000292007% change) linmin: converged after 4 iterations. iteration 120: trace = 6.854343557872618 (0.000136146% change) linmin: converged after 6 iterations. iteration 121: trace = 6.854338050428884 (8.03497e-05% change) linmin: converged after 3 iterations. iteration 122: trace = 6.854333109282261 (7.20879e-05% change) linmin: converged after 4 iterations. iteration 123: trace = 6.85432971974252 (4.94511e-05% change) linmin: converged after 4 iterations. iteration 124: trace = 6.854326963199061 (4.02161e-05% change) linmin: converged after 4 iterations. iteration 125: trace = 6.85432381569503 (4.592e-05% change) linmin: converged after 4 iterations. iteration 126: trace = 6.854320653442576 (4.61352e-05% change) linmin: converged after 6 iterations. iteration 127: trace = 6.854318502492756 (3.13809e-05% change) linmin: converged after 4 iterations. iteration 128: trace = 6.854316481535016 (2.94844e-05% change) linmin: converged after 4 iterations. iteration 129: trace = 6.854314968301265 (2.20771e-05% change) linmin: converged after 4 iterations. iteration 130: trace = 6.854314299774976 (9.75336e-06% change) linmin: converged after 10 iterations. iteration 131: trace = 6.854313678854977 (9.05882e-06% change) linmin: converged after 6 iterations. iteration 132: trace = 6.854312884065411 (1.15955e-05% change) linmin: converged after 5 iterations. iteration 133: trace = 6.854311865321963 (1.48628e-05% change) linmin: converged after 4 iterations. iteration 134: trace = 6.854311298388739 (8.27119e-06% change) linmin: converged after 6 iterations. iteration 135: trace = 6.854310824195805 (6.91817e-06% change) linmin: converged after 5 iterations. iteration 136: trace = 6.854310167433328 (9.58174e-06% change) linmin: converged after 4 iterations. iteration 137: trace = 6.854309289510238 (1.28083e-05% change) linmin: converged after 4 iterations. iteration 138: trace = 6.854308656729578 (9.23187e-06% change) linmin: converged after 7 iterations. iteration 139: trace = 6.854307923897805 (1.06915e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 6.854307417823084 (7.38331e-06% change) linmin: converged after 4 iterations. iteration 141: trace = 6.854306969792033 (6.53649e-06% change) linmin: converged after 4 iterations. iteration 142: trace = 6.854306474371172 (7.22788e-06% change) linmin: converged after 3 iterations. iteration 143: trace = 6.854306058402508 (6.06872e-06% change) linmin: converged after 3 iterations. iteration 144: trace = 6.854305757008323 (4.39715e-06% change) linmin: converged after 5 iterations. iteration 145: trace = 6.854305444756209 (4.55556e-06% change) linmin: converged after 4 iterations. iteration 146: trace = 6.854304890022757 (8.09321e-06% change) linmin: converged after 4 iterations. iteration 147: trace = 6.854304491538713 (5.81363e-06% change) linmin: converged after 4 iterations. iteration 148: trace = 6.854304291713156 (2.91533e-06% change) linmin: converged after 4 iterations. iteration 149: trace = 6.854304060827949 (3.36847e-06% change) linmin: converged after 7 iterations. iteration 150: trace = 6.854303700792719 (5.25269e-06% change) linmin: converged after 5 iterations. iteration 151: trace = 6.854303402006052 (4.35911e-06% change) linmin: converged after 2 iterations. iteration 152: trace = 6.854303138022485 (3.85136e-06% change) linmin: converged after 3 iterations. iteration 153: trace = 6.854302877175606 (3.80559e-06% change) linmin: converged after 7 iterations. iteration 154: trace = 6.854302639669397 (3.46507e-06% change) linmin: converged after 5 iterations. iteration 155: trace = 6.854302422434157 (3.16933e-06% change) linmin: converged after 11 iterations. iteration 156: trace = 6.854302260202691 (2.36686e-06% change) linmin: converged after 4 iterations. iteration 157: trace = 6.854302022894414 (3.46218e-06% change) linmin: converged after 10 iterations. iteration 158: trace = 6.854301803025812 (3.20775e-06% change) linmin: converged after 7 iterations. iteration 159: trace = 6.854301558142355 (3.5727e-06% change) linmin: converged after 5 iterations. iteration 160: trace = 6.854301404226124 (2.24554e-06% change) linmin: converged after 4 iterations. iteration 161: trace = 6.854301308347439 (1.39881e-06% change) linmin: converged after 5 iterations. iteration 162: trace = 6.854301245810882 (9.1237e-07% change) linmin: converged after 6 iterations. iteration 163: trace = 6.854301157896623 (1.28261e-06% change) linmin: converged after 6 iterations. iteration 164: trace = 6.854301069015087 (1.29673e-06% change) linmin: converged after 3 iterations. iteration 165: trace = 6.85430100994212 (8.61838e-07% change) linmin: converged after 8 iterations. iteration 166: trace = 6.854300969703043 (5.87063e-07% change) linmin: converged after 4 iterations. iteration 167: trace = 6.854300948094308 (3.15258e-07% change) linmin: converged after 4 iterations. iteration 168: trace = 6.854300932073283 (2.33737e-07% change) linmin: converged after 4 iterations. iteration 169: trace = 6.854300911078107 (3.06307e-07% change) linmin: converged after 5 iterations. iteration 170: trace = 6.854300891906373 (2.79704e-07% change) linmin: converged after 4 iterations. iteration 171: trace = 6.854300881332443 (1.54267e-07% change) linmin: converged after 4 iterations. iteration 172: trace = 6.854300873080441 (1.20392e-07% change) linmin: converged after 4 iterations. iteration 173: trace = 6.854300860994126 (1.76332e-07% change) linmin: converged after 4 iterations. iteration 174: trace = 6.854300852078293 (1.30076e-07% change) linmin: converged after 4 iterations. iteration 175: trace = 6.854300842754848 (1.36023e-07% change) linmin: converged after 13 iterations. iteration 176: trace = 6.854300830331569 (1.81248e-07% change) linmin: converged after 4 iterations. iteration 177: trace = 6.854300822678241 (1.11657e-07% change) linmin: converged after 4 iterations. iteration 178: trace = 6.854300818006355 (6.81599e-08% change) linmin: converged after 9 iterations. iteration 179: trace = 6.854300813565233 (6.47932e-08% change) linmin: converged after 4 iterations. iteration 180: trace = 6.854300808250031 (7.75455e-08% change) linmin: converged after 4 iterations. iteration 181: trace = 6.85430080179279 (9.42071e-08% change) linmin: converged after 3 iterations. iteration 182: trace = 6.854300795431201 (9.28116e-08% change) linmin: converged after 19 iterations. iteration 183: trace = 6.854300791297383 (6.03099e-08% change) linmin: converged after 18 iterations. iteration 184: trace = 6.854300788127356 (4.62487e-08% change) linmin: converged after 4 iterations. iteration 185: trace = 6.854300785176993 (4.3044e-08% change) linmin: converged after 4 iterations. iteration 186: trace = 6.854300781060166 (6.0062e-08% change) linmin: converged after 4 iterations. iteration 187: trace = 6.854300778444571 (3.81599e-08% change) linmin: converged after 4 iterations. iteration 188: trace = 6.854300776957935 (2.16891e-08% change) linmin: converged after 3 iterations. iteration 189: trace = 6.854300775712315 (1.81728e-08% change) linmin: converged after 14 iterations. iteration 190: trace = 6.854300774375941 (1.94969e-08% change) linmin: converged after 4 iterations. iteration 191: trace = 6.854300773192256 (1.72692e-08% change) linmin: converged after 3 iterations. iteration 192: trace = 6.854300772712941 (6.99291e-09% change) linmin: converged after 4 iterations. iteration 193: trace = 6.854300772371625 (4.97959e-09% change) linmin: converged after 5 iterations. iteration 194: trace = 6.854300771833748 (7.84728e-09% change) linmin: converged after 4 iterations. iteration 195: trace = 6.854300771437689 (5.77826e-09% change) linmin: converged after 15 iterations. iteration 196: trace = 6.854300771258659 (2.61194e-09% change) linmin: converged after 4 iterations. iteration 197: trace = 6.854300771184111 (1.08761e-09% change) linmin: converged after 4 iterations. iteration 198: trace = 6.854300771136732 (6.9123e-10% change) linmin: converged after 10 iterations. iteration 199: trace = 6.854300771069992 (9.73688e-10% change) linmin: converged after 9 iterations. iteration 200: trace = 6.854300771009783 (8.78421e-10% change) linmin: converged after 3 iterations. iteration 201: trace = 6.854300770986704 (3.367e-10% change) linmin: converged after 5 iterations. iteration 202: trace = 6.854300770975144 (1.68661e-10% change) linmin: converged after 4 iterations. iteration 203: trace = 6.854300770964944 (1.48809e-10% change) linmin: converged after 3 iterations. iteration 204: trace = 6.854300770958513 (9.38157e-11% change) Finished solving for bands 2 to 8 after 204 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 2.6511805057525635 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 7.00753745977845 (11.2703% change) linmin: converged after 5 iterations. iteration 2: trace = 7.003247357522239 (0.06124% change) large trace change predicted (0.442958%) linmin: converged after 5 iterations. iteration 3: trace = 6.97513932506058 (0.402164% change) linmin: converged after 5 iterations. iteration 4: trace = 6.971270251751121 (0.0554849% change) large trace change predicted (0.226623%) linmin: converged after 4 iterations. iteration 5: trace = 6.956267468319696 (0.215441% change) linmin: converged after 10 iterations. iteration 6: trace = 6.933392872571101 (0.329376% change) linmin: converged after 6 iterations. iteration 7: trace = 6.931992241796282 (0.0202033% change) large trace change predicted (0.205291%) linmin: converged after 4 iterations. iteration 8: trace = 6.91733149675675 (0.211718% change) linmin: converged after 6 iterations. iteration 9: trace = 6.902037334243555 (0.221344% change) linmin: converged after 4 iterations. iteration 10: trace = 6.900816452999297 (0.0176903% change) linmin: converged after 9 iterations. iteration 11: trace = 6.898720588711233 (0.0303759% change) large trace change predicted (0.158392%) linmin: converged after 6 iterations. iteration 12: trace = 6.888130425362454 (0.153627% change) linmin: converged after 4 iterations. iteration 13: trace = 6.885392679765633 (0.0397537% change) linmin: converged after 5 iterations. iteration 14: trace = 6.881023946913196 (0.0634694% change) large trace change predicted (0.55157%) linmin: converged after 6 iterations. iteration 15: trace = 6.851222994209732 (0.434029% change) linmin: converged after 6 iterations. iteration 16: trace = 6.848570430042495 (0.0387241% change) linmin: converged after 3 iterations. iteration 17: trace = 6.846532544645538 (0.0297608% change) large trace change predicted (0.118504%) linmin: converged after 6 iterations. iteration 18: trace = 6.838958716436827 (0.110684% change) linmin: converged after 3 iterations. iteration 19: trace = 6.838261213222146 (0.0101995% change) large trace change predicted (0.0363603%) linmin: converged after 3 iterations. iteration 20: trace = 6.835756729677899 (0.0366313% change) linmin: converged after 4 iterations. iteration 21: trace = 6.831548373954486 (0.0615828% change) linmin: converged after 3 iterations. iteration 22: trace = 6.831144950633002 (0.00590547% change) large trace change predicted (0.0574301%) linmin: converged after 4 iterations. iteration 23: trace = 6.82711433780127 (0.0590209% change) linmin: converged after 4 iterations. iteration 24: trace = 6.823314257819584 (0.0556771% change) linmin: converged after 4 iterations. iteration 25: trace = 6.822904152225699 (0.00601054% change) large trace change predicted (0.0472522%) linmin: converged after 4 iterations. iteration 26: trace = 6.819507854326314 (0.0497903% change) linmin: converged after 4 iterations. iteration 27: trace = 6.81804249955956 (0.02149% change) linmin: converged after 4 iterations. iteration 28: trace = 6.817386911725667 (0.00961595% change) large trace change predicted (0.0746118%) linmin: converged after 7 iterations. iteration 29: trace = 6.811801986759399 (0.0819554% change) linmin: converged after 4 iterations. iteration 30: trace = 6.811011816897357 (0.0116007% change) linmin: converged after 3 iterations. iteration 31: trace = 6.809751570295772 (0.0185048% change) large trace change predicted (0.0614977%) linmin: converged after 4 iterations. iteration 32: trace = 6.805453223773844 (0.0631404% change) linmin: converged after 4 iterations. iteration 33: trace = 6.805025650473594 (0.006283% change) large trace change predicted (0.0298745%) linmin: converged after 3 iterations. iteration 34: trace = 6.802964566938627 (0.0302923% change) linmin: converged after 3 iterations. iteration 35: trace = 6.800346853371912 (0.0384864% change) linmin: converged after 3 iterations. iteration 36: trace = 6.80015759180054 (0.00278316% change) large trace change predicted (0.0152533%) linmin: converged after 4 iterations. iteration 37: trace = 6.79912959656656 (0.0151184% change) linmin: converged after 4 iterations. iteration 38: trace = 6.797753752268749 (0.0202376% change) linmin: converged after 3 iterations. iteration 39: trace = 6.797626615208633 (0.0018703% change) large trace change predicted (0.00964375%) linmin: converged after 4 iterations. iteration 40: trace = 6.796985851978464 (0.00942672% change) linmin: converged after 6 iterations. iteration 41: trace = 6.796346975801319 (0.00939985% change) linmin: converged after 3 iterations. iteration 42: trace = 6.796284308288155 (0.000922081% change) large trace change predicted (0.00629693%) linmin: converged after 4 iterations. iteration 43: trace = 6.79586752935854 (0.00613264% change) linmin: converged after 4 iterations. iteration 44: trace = 6.795406397378535 (0.00678571% change) linmin: converged after 3 iterations. iteration 45: trace = 6.795367589166507 (0.000571096% change) large trace change predicted (0.00284232%) linmin: converged after 4 iterations. iteration 46: trace = 6.795177119645579 (0.00280297% change) linmin: converged after 3 iterations. iteration 47: trace = 6.794940918641266 (0.00347607% change) linmin: converged after 4 iterations. iteration 48: trace = 6.794907136120846 (0.000497173% change) large trace change predicted (0.00433788%) linmin: converged after 4 iterations. iteration 49: trace = 6.794615931104317 (0.00428573% change) linmin: converged after 3 iterations. iteration 50: trace = 6.794255733152854 (0.00530137% change) linmin: converged after 6 iterations. iteration 51: trace = 6.794217400046072 (0.0005642% change) large trace change predicted (0.00335305%) linmin: converged after 4 iterations. iteration 52: trace = 6.793991211914614 (0.00332918% change) linmin: converged after 4 iterations. iteration 53: trace = 6.793728115676403 (0.00387256% change) linmin: converged after 5 iterations. iteration 54: trace = 6.793694257433282 (0.000498376% change) large trace change predicted (0.00365897%) linmin: converged after 4 iterations. iteration 55: trace = 6.793446262831006 (0.00365043% change) linmin: converged after 4 iterations. iteration 56: trace = 6.793196852154241 (0.00367141% change) linmin: converged after 9 iterations. iteration 57: trace = 6.793167322529218 (0.000434695% change) large trace change predicted (0.0030239%) linmin: converged after 5 iterations. iteration 58: trace = 6.792962144265998 (0.00302041% change) linmin: converged after 4 iterations. iteration 59: trace = 6.792775383573204 (0.00274936% change) linmin: converged after 5 iterations. iteration 60: trace = 6.792756986282632 (0.000270837% change) large trace change predicted (0.00165709%) linmin: converged after 4 iterations. iteration 61: trace = 6.792644652103 (0.00165375% change) linmin: converged after 3 iterations. iteration 62: trace = 6.792550296120111 (0.0013891% change) linmin: converged after 3 iterations. iteration 63: trace = 6.792537663895324 (0.000185972% change) large trace change predicted (0.0016015%) linmin: converged after 4 iterations. iteration 64: trace = 6.792429264179012 (0.00159588% change) linmin: converged after 3 iterations. iteration 65: trace = 6.79234057634147 (0.0013057% change) linmin: converged after 5 iterations. iteration 66: trace = 6.792331550480439 (0.000132883% change) large trace change predicted (0.000841264%) linmin: converged after 4 iterations. iteration 67: trace = 6.792274568100196 (0.000838926% change) linmin: converged after 3 iterations. iteration 68: trace = 6.792237438852299 (0.000546641% change) linmin: converged after 7 iterations. iteration 69: trace = 6.79223260908411 (7.11072e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.792228297087311 (6.34843e-05% change) large trace change predicted (0.00110164%) linmin: converged after 4 iterations. iteration 71: trace = 6.792153696035618 (0.00109834% change) linmin: converged after 22 iterations. iteration 72: trace = 6.792149583641185 (6.05463e-05% change) large trace change predicted (0.00070886%) linmin: converged after 4 iterations. iteration 73: trace = 6.792101528896652 (0.000707507% change) linmin: converged after 11 iterations. iteration 74: trace = 6.79209986014569 (2.4569e-05% change) large trace change predicted (0.00061911%) linmin: converged after 7 iterations. iteration 75: trace = 6.792057871195082 (0.000618205% change) linmin: converged after 21 iterations. iteration 76: trace = 6.792056167292145 (2.50867e-05% change) large trace change predicted (0.000403798%) linmin: converged after 3 iterations. iteration 77: trace = 6.792028725381062 (0.00040403% change) linmin: converged after 3 iterations. iteration 78: trace = 6.792026996820653 (2.54498e-05% change) large trace change predicted (0.000260605%) linmin: converged after 3 iterations. iteration 79: trace = 6.792009275859195 (0.000260909% change) linmin: converged after 3 iterations. iteration 80: trace = 6.79200845220251 (1.21268e-05% change) large trace change predicted (0.000159643%) linmin: converged after 3 iterations. iteration 81: trace = 6.791997598108031 (0.000159807% change) linmin: converged after 3 iterations. iteration 82: trace = 6.791996904823403 (1.02074e-05% change) large trace change predicted (8.62741e-05%) linmin: converged after 3 iterations. iteration 83: trace = 6.791991042355102 (8.63144e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 6.791990705994312 (4.95232e-06% change) large trace change predicted (6.51717e-05%) linmin: converged after 3 iterations. iteration 85: trace = 6.791986279256625 (6.51759e-05% change) linmin: converged after 5 iterations. iteration 86: trace = 6.79198600259771 (4.07331e-06% change) large trace change predicted (5.27612e-05%) linmin: converged after 3 iterations. iteration 87: trace = 6.79198241839689 (5.2771e-05% change) linmin: converged after 3 iterations. iteration 88: trace = 6.791981792216397 (9.21941e-06% change) large trace change predicted (5.89239e-05%) linmin: converged after 6 iterations. iteration 89: trace = 6.791977795442595 (5.88455e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 6.791976820421462 (1.43555e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 6.79197563926706 (1.73904e-05% change) linmin: converged after 12 iterations. iteration 92: trace = 6.791973900548872 (2.55996e-05% change) linmin: converged after 4 iterations. iteration 93: trace = 6.791973451708238 (6.6084e-06% change) large trace change predicted (1.86429e-05%) linmin: converged after 3 iterations. iteration 94: trace = 6.791972185619138 (1.8641e-05% change) linmin: converged after 5 iterations. iteration 95: trace = 6.791971552121505 (9.32715e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 6.791970944564572 (8.94522e-06% change) linmin: converged after 3 iterations. iteration 97: trace = 6.791970203528457 (1.09105e-05% change) linmin: converged after 3 iterations. iteration 98: trace = 6.791969818867497 (5.66347e-06% change) linmin: converged after 3 iterations. iteration 99: trace = 6.791969227088103 (8.71293e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 6.791968708495157 (7.63538e-06% change) linmin: converged after 6 iterations. iteration 101: trace = 6.791968633584211 (1.10293e-06% change) large trace change predicted (5.11017e-06%) linmin: converged after 21 iterations. iteration 102: trace = 6.791968286492912 (5.11032e-06% change) linmin: converged after 4 iterations. iteration 103: trace = 6.791968269193949 (2.54697e-07% change) large trace change predicted (2.48594e-06%) linmin: converged after 17 iterations. iteration 104: trace = 6.791968100356114 (2.48585e-06% change) linmin: converged after 6 iterations. iteration 105: trace = 6.791968092537544 (1.15115e-07% change) large trace change predicted (2.05345e-06%) linmin: converged after 2 iterations. iteration 106: trace = 6.791967953067665 (2.05345e-06% change) linmin: converged after 2 iterations. iteration 107: trace = 6.791967947973122 (7.50084e-08% change) large trace change predicted (1.46192e-06%) linmin: converged after 4 iterations. iteration 108: trace = 6.79196784867694 (1.46196e-06% change) linmin: converged after 4 iterations. iteration 109: trace = 6.791967845134939 (5.21498e-08% change) large trace change predicted (1.32686e-06%) linmin: converged after 2 iterations. iteration 110: trace = 6.791967755014434 (1.32687e-06% change) linmin: converged after 11 iterations. iteration 111: trace = 6.79196774852856 (9.54933e-08% change) large trace change predicted (1.17345e-06%) linmin: converged after 23 iterations. iteration 112: trace = 6.791967668820734 (1.17356e-06% change) linmin: converged after 4 iterations. iteration 113: trace = 6.79196766515275 (5.40047e-08% change) large trace change predicted (7.60139e-07%) linmin: converged after 5 iterations. iteration 114: trace = 6.791967613521244 (7.60185e-07% change) linmin: converged after 5 iterations. iteration 115: trace = 6.791967611003068 (3.70758e-08% change) large trace change predicted (3.11142e-07%) linmin: converged after 2 iterations. iteration 116: trace = 6.791967589870209 (3.11145e-07% change) linmin: converged after 3 iterations. iteration 117: trace = 6.791967587002659 (4.22197e-08% change) large trace change predicted (2.73399e-07%) linmin: converged after 15 iterations. iteration 118: trace = 6.79196756843311 (2.73405e-07% change) linmin: converged after 4 iterations. iteration 119: trace = 6.791967562061167 (9.38159e-08% change) large trace change predicted (2.35396e-07%) linmin: converged after 16 iterations. iteration 120: trace = 6.791967546072798 (2.35401e-07% change) linmin: converged after 7 iterations. iteration 121: trace = 6.791967543172142 (4.27071e-08% change) large trace change predicted (2.45603e-07%) linmin: converged after 2 iterations. iteration 122: trace = 6.791967526490796 (2.45604e-07% change) linmin: converged after 9 iterations. iteration 123: trace = 6.791967524526902 (2.8915e-08% change) linmin: converged after 11 iterations. iteration 124: trace = 6.791967521130758 (5.00024e-08% change) linmin: converged after 4 iterations. iteration 125: trace = 6.791967517040356 (6.02241e-08% change) linmin: converged after 4 iterations. iteration 126: trace = 6.791967516348175 (1.01912e-08% change) large trace change predicted (5.17321e-08%) linmin: converged after 7 iterations. iteration 127: trace = 6.791967512834521 (5.17325e-08% change) linmin: converged after 28 iterations. iteration 128: trace = 6.791967512494754 (5.00249e-09% change) large trace change predicted (3.90447e-08%) linmin: converged after 6 iterations. iteration 129: trace = 6.791967509842825 (3.90451e-08% change) linmin: converged after 25 iterations. iteration 130: trace = 6.791967509631847 (3.10629e-09% change) large trace change predicted (5.17517e-08%) linmin: converged after 4 iterations. iteration 131: trace = 6.791967506116848 (5.17523e-08% change) linmin: converged after 4 iterations. iteration 132: trace = 6.791967505947014 (2.50051e-09% change) large trace change predicted (5.48012e-08%) linmin: converged after 6 iterations. iteration 133: trace = 6.79196750222491 (5.48016e-08% change) linmin: converged after 27 iterations. iteration 134: trace = 6.791967502120426 (1.53835e-09% change) large trace change predicted (2.62737e-08%) linmin: converged after 5 iterations. iteration 135: trace = 6.791967500335922 (2.62737e-08% change) linmin: converged after 14 iterations. iteration 136: trace = 6.791967500262061 (1.08747e-09% change) large trace change predicted (1.48964e-08%) linmin: converged after 4 iterations. iteration 137: trace = 6.791967499250291 (1.48966e-08% change) linmin: converged after 4 iterations. iteration 138: trace = 6.791967499211671 (5.6861e-10% change) large trace change predicted (1.31311e-08%) linmin: converged after 18 iterations. iteration 139: trace = 6.791967498319815 (1.3131e-08% change) resetting CG direction... linmin: converged after 5 iterations. iteration 140: trace = 6.791967498282812 (5.4481e-10% change) large trace change predicted (3.7786e-09%) linmin: converged after 4 iterations. iteration 141: trace = 6.791967498026162 (3.77873e-09% change) linmin: converged after 4 iterations. iteration 142: trace = 6.791967497936822 (1.31538e-09% change) linmin: converged after 33 iterations. iteration 143: trace = 6.791967497807192 (1.90859e-09% change) linmin: converged after 5 iterations. iteration 144: trace = 6.791967497623597 (2.70311e-09% change) linmin: converged after 7 iterations. iteration 145: trace = 6.791967497533031 (1.33342e-09% change) large trace change predicted (5.22394e-09%) linmin: converged after 4 iterations. iteration 146: trace = 6.791967497178235 (5.22376e-09% change) linmin: converged after 19 iterations. iteration 147: trace = 6.791967497134443 (6.44756e-10% change) large trace change predicted (4.57323e-09%) linmin: converged after 19 iterations. iteration 148: trace = 6.791967496823819 (4.57341e-09% change) linmin: converged after 4 iterations. iteration 149: trace = 6.791967496811111 (1.87104e-10% change) large trace change predicted (2.5811e-09%) linmin: converged after 15 iterations. iteration 150: trace = 6.791967496635799 (2.58117e-09% change) linmin: converged after 2 iterations. iteration 151: trace = 6.791967496536301 (1.46494e-09% change) linmin: converged after 18 iterations. iteration 152: trace = 6.79196749650842 (4.10497e-10% change) linmin: converged after 4 iterations. iteration 153: trace = 6.791967496474739 (4.95889e-10% change) large trace change predicted (1.56046e-09%) linmin: converged after 30 iterations. iteration 154: trace = 6.791967496368764 (1.56031e-09% change) linmin: converged after 12 iterations. iteration 155: trace = 6.791967496298046 (1.0412e-09% change) linmin: converged after 11 iterations. iteration 156: trace = 6.791967496251636 (6.83307e-10% change) linmin: converged after 8 iterations. iteration 157: trace = 6.791967496221504 (4.43647e-10% change) large trace change predicted (1.26966e-09%) linmin: converged after 3 iterations. iteration 158: trace = 6.791967496135262 (1.26975e-09% change) linmin: converged after 19 iterations. iteration 159: trace = 6.791967496093683 (6.12182e-10% change) linmin: converged after 18 iterations. iteration 160: trace = 6.791967496066209 (4.04508e-10% change) linmin: converged after 5 iterations. iteration 161: trace = 6.791967496038064 (4.14394e-10% change) linmin: converged after 24 iterations. iteration 162: trace = 6.791967496013718 (3.58451e-10% change) linmin: converged after 11 iterations. iteration 163: trace = 6.791967496008358 (7.89191e-11% change) Finished solving for bands 1 to 8 after 163 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0813996, 0.654814, 0.784954, 0.787051, 0.973107, 1.147, 1.15475, 1.23489 elapsed time for k point: 2.727633476257324 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.779233550596889 (0.0293383% change) large trace change predicted (0.119597%) linmin: converged after 4 iterations. iteration 2: trace = 6.771228401326733 (0.118153% change) linmin: converged after 4 iterations. iteration 3: trace = 6.767887956809664 (0.0493451% change) linmin: converged after 4 iterations. iteration 4: trace = 6.76677122931113 (0.0165017% change) linmin: converged after 4 iterations. iteration 5: trace = 6.765535099599056 (0.0182693% change) linmin: converged after 3 iterations. iteration 6: trace = 6.765291636738278 (0.00359864% change) large trace change predicted (0.0160514%) linmin: converged after 4 iterations. iteration 7: trace = 6.764214929477857 (0.0159164% change) linmin: converged after 4 iterations. iteration 8: trace = 6.76407401113473 (0.00208331% change) large trace change predicted (0.00881634%) linmin: converged after 3 iterations. iteration 9: trace = 6.763477863636259 (0.00881383% change) linmin: converged after 4 iterations. iteration 10: trace = 6.763112348326485 (0.0054044% change) linmin: converged after 3 iterations. iteration 11: trace = 6.762840134090143 (0.00402507% change) linmin: converged after 3 iterations. iteration 12: trace = 6.762589628912966 (0.00370421% change) linmin: converged after 3 iterations. iteration 13: trace = 6.762499879783763 (0.00132715% change) large trace change predicted (0.0053181%) linmin: converged after 3 iterations. iteration 14: trace = 6.762138377500767 (0.00534583% change) linmin: converged after 3 iterations. iteration 15: trace = 6.762074017139794 (0.00095178% change) large trace change predicted (0.004131%) linmin: converged after 3 iterations. iteration 16: trace = 6.761792734311442 (0.0041598% change) linmin: converged after 3 iterations. iteration 17: trace = 6.761637969313528 (0.00228884% change) linmin: converged after 3 iterations. iteration 18: trace = 6.761443370422516 (0.00287803% change) linmin: converged after 3 iterations. iteration 19: trace = 6.761355084422071 (0.00130574% change) linmin: converged after 3 iterations. iteration 20: trace = 6.761311624657907 (0.000642769% change) linmin: converged after 3 iterations. iteration 21: trace = 6.761229847326257 (0.0012095% change) linmin: converged after 4 iterations. iteration 22: trace = 6.761215255064204 (0.000215823% change) large trace change predicted (0.00156083%) linmin: converged after 3 iterations. iteration 23: trace = 6.761109754139639 (0.0015604% change) linmin: converged after 4 iterations. iteration 24: trace = 6.761094041073675 (0.000232404% change) large trace change predicted (0.00140419%) linmin: converged after 4 iterations. iteration 25: trace = 6.760999120167851 (0.00140394% change) linmin: converged after 4 iterations. iteration 26: trace = 6.760985064658532 (0.000207891% change) large trace change predicted (0.000713165%) linmin: converged after 3 iterations. iteration 27: trace = 6.76093680649653 (0.000713777% change) linmin: converged after 5 iterations. iteration 28: trace = 6.76092480632883 (0.000177493% change) linmin: converged after 3 iterations. iteration 29: trace = 6.760910134914101 (0.000217003% change) linmin: converged after 4 iterations. iteration 30: trace = 6.760890459249516 (0.000291021% change) linmin: converged after 5 iterations. iteration 31: trace = 6.760887280164211 (4.70217e-05% change) large trace change predicted (0.000188892%) linmin: converged after 3 iterations. iteration 32: trace = 6.760874501476811 (0.000189009% change) linmin: converged after 3 iterations. iteration 33: trace = 6.760870710146259 (5.60775e-05% change) large trace change predicted (0.000208151%) linmin: converged after 3 iterations. iteration 34: trace = 6.76085664199883 (0.000208082% change) linmin: converged after 3 iterations. iteration 35: trace = 6.760854109021929 (3.74653e-05% change) large trace change predicted (0.000181329%) linmin: converged after 7 iterations. iteration 36: trace = 6.760841855443116 (0.000181243% change) linmin: converged after 4 iterations. iteration 37: trace = 6.760838750573402 (4.59243e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.760832929224003 (8.6104e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 6.760829531803741 (5.02515e-05% change) linmin: converged after 3 iterations. iteration 40: trace = 6.760828409981126 (1.6593e-05% change) large trace change predicted (5.81462e-05%) linmin: converged after 5 iterations. iteration 41: trace = 6.760824479486533 (5.81363e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.76082395116145 (7.81451e-06% change) large trace change predicted (5.82498e-05%) linmin: converged after 3 iterations. iteration 43: trace = 6.760820014608305 (5.8226e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.76081952101244 (7.30083e-06% change) large trace change predicted (3.13593e-05%) linmin: converged after 3 iterations. iteration 45: trace = 6.760817401033285 (3.13568e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.760816763676849 (9.42721e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 6.760816130218187 (9.36956e-06% change) linmin: converged after 3 iterations. iteration 48: trace = 6.760815397660581 (1.08353e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 6.760815041480166 (5.26831e-06% change) large trace change predicted (1.11096e-05%) linmin: converged after 4 iterations. iteration 50: trace = 6.760814290358979 (1.11099e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.76081413053437 (2.36398e-06% change) large trace change predicted (7.42203e-06%) linmin: converged after 4 iterations. iteration 52: trace = 6.760813628699935 (7.42269e-06% change) linmin: converged after 4 iterations. iteration 53: trace = 6.760813528937188 (1.4756e-06% change) large trace change predicted (6.13488e-06%) linmin: converged after 2 iterations. iteration 54: trace = 6.760813114164014 (6.13496e-06% change) linmin: converged after 4 iterations. iteration 55: trace = 6.76081304384674 (1.04007e-06% change) large trace change predicted (3.51847e-06%) linmin: converged after 5 iterations. iteration 56: trace = 6.760812805981029 (3.5183e-06% change) linmin: converged after 4 iterations. iteration 57: trace = 6.760812726681378 (1.17293e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.760812628532701 (1.45173e-06% change) linmin: converged after 13 iterations. iteration 59: trace = 6.760812513920794 (1.69524e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.760812491693962 (3.2876e-07% change) large trace change predicted (1.70047e-06%) linmin: converged after 3 iterations. iteration 61: trace = 6.760812376732147 (1.70041e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.760812366746512 (1.47699e-07% change) large trace change predicted (7.66896e-07%) linmin: converged after 2 iterations. iteration 63: trace = 6.760812314897729 (7.66902e-07% change) linmin: converged after 3 iterations. iteration 64: trace = 6.760812308316102 (9.73496e-08% change) large trace change predicted (5.49371e-07%) linmin: converged after 21 iterations. iteration 65: trace = 6.760812271173618 (5.49379e-07% change) linmin: converged after 2 iterations. iteration 66: trace = 6.760812252731852 (2.72774e-07% change) linmin: converged after 9 iterations. iteration 67: trace = 6.760812234898714 (2.63772e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.760812212298381 (3.34284e-07% change) linmin: converged after 3 iterations. iteration 69: trace = 6.76081220771335 (6.78178e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.760812204445708 (4.83321e-08% change) large trace change predicted (1.00524e-07%) linmin: converged after 16 iterations. iteration 71: trace = 6.760812197649356 (1.00526e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 6.760812192326476 (7.87314e-08% change) linmin: converged after 3 iterations. iteration 73: trace = 6.760812189430911 (4.28287e-08% change) large trace change predicted (8.96507e-08%) linmin: converged after 4 iterations. iteration 74: trace = 6.760812183369795 (8.96507e-08% change) linmin: converged after 7 iterations. iteration 75: trace = 6.760812181816627 (2.29731e-08% change) large trace change predicted (8.5081e-08%) linmin: converged after 23 iterations. iteration 76: trace = 6.760812176064446 (8.50812e-08% change) linmin: converged after 4 iterations. iteration 77: trace = 6.760812174720721 (1.98752e-08% change) large trace change predicted (1.1114e-07%) linmin: converged after 3 iterations. iteration 78: trace = 6.760812167206701 (1.11141e-07% change) linmin: converged after 4 iterations. iteration 79: trace = 6.760812165625958 (2.3381e-08% change) large trace change predicted (7.37675e-08%) linmin: converged after 19 iterations. iteration 80: trace = 6.760812160638682 (7.37674e-08% change) linmin: converged after 2 iterations. iteration 81: trace = 6.760812156525474 (6.0839e-08% change) linmin: converged after 10 iterations. iteration 82: trace = 6.760812155163762 (2.01412e-08% change) large trace change predicted (5.4959e-08%) linmin: converged after 4 iterations. iteration 83: trace = 6.760812151448087 (5.4959e-08% change) linmin: converged after 7 iterations. iteration 84: trace = 6.760812149293113 (3.18745e-08% change) linmin: converged after 4 iterations. iteration 85: trace = 6.760812148755607 (7.95033e-09% change) linmin: converged after 23 iterations. iteration 86: trace = 6.760812147908694 (1.25268e-08% change) linmin: converged after 5 iterations. iteration 87: trace = 6.76081214754668 (5.35459e-09% change) linmin: converged after 19 iterations. iteration 88: trace = 6.760812146941667 (8.94882e-09% change) linmin: converged after 2 iterations. iteration 89: trace = 6.76081214630727 (9.38345e-09% change) linmin: converged after 4 iterations. iteration 90: trace = 6.760812146125056 (2.69515e-09% change) large trace change predicted (1.05556e-08%) linmin: converged after 18 iterations. iteration 91: trace = 6.760812145411401 (1.05558e-08% change) linmin: converged after 4 iterations. iteration 92: trace = 6.760812145287515 (1.83241e-09% change) large trace change predicted (6.9706e-09%) linmin: converged after 3 iterations. iteration 93: trace = 6.760812144816243 (6.97064e-09% change) linmin: converged after 24 iterations. iteration 94: trace = 6.760812144744508 (1.06105e-09% change) large trace change predicted (3.42598e-09%) linmin: converged after 4 iterations. iteration 95: trace = 6.760812144512881 (3.42601e-09% change) linmin: converged after 4 iterations. iteration 96: trace = 6.760812144375766 (2.02809e-09% change) linmin: converged after 16 iterations. iteration 97: trace = 6.760812144325917 (7.37323e-10% change) large trace change predicted (2.11021e-09%) linmin: converged after 20 iterations. iteration 98: trace = 6.760812144183242 (2.11033e-09% change) linmin: converged after 2 iterations. iteration 99: trace = 6.760812144085763 (1.44182e-09% change) linmin: converged after 11 iterations. iteration 100: trace = 6.760812144053057 (4.83763e-10% change) linmin: converged after 6 iterations. iteration 101: trace = 6.760812143989354 (9.42236e-10% change) linmin: converged after 7 iterations. iteration 102: trace = 6.760812143975572 (2.03849e-10% change) large trace change predicted (6.00139e-10%) linmin: converged after 4 iterations. iteration 103: trace = 6.760812143934994 (6.00197e-10% change) linmin: converged after 6 iterations. iteration 104: trace = 6.760812143920324 (2.16986e-10% change) large trace change predicted (5.14397e-10%) linmin: converged after 4 iterations. iteration 105: trace = 6.760812143885539 (5.14517e-10% change) linmin: converged after 4 iterations. iteration 106: trace = 6.760812143880978 (6.74593e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.161634, 0.615231, 0.789764, 0.798457, 0.982219, 1.11674, 1.12242, 1.27406 elapsed time for k point: 1.7764525413513184 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.812819248521386 (0.0683452% change) linmin: converged after 3 iterations. iteration 2: trace = 6.809521808707067 (0.0484122% change) linmin: converged after 4 iterations. iteration 3: trace = 6.806878699994705 (0.0388224% change) linmin: converged after 3 iterations. iteration 4: trace = 6.806531487826939 (0.00510103% change) linmin: converged after 4 iterations. iteration 5: trace = 6.805858809794708 (0.00988332% change) linmin: converged after 11 iterations. iteration 6: trace = 6.805278574111892 (0.0085259% change) linmin: converged after 4 iterations. iteration 7: trace = 6.805018721408595 (0.00381847% change) large trace change predicted (0.00764409%) linmin: converged after 4 iterations. iteration 8: trace = 6.804499754470688 (0.00762653% change) linmin: converged after 4 iterations. iteration 9: trace = 6.804165987612704 (0.00490521% change) linmin: converged after 3 iterations. iteration 10: trace = 6.803799207362694 (0.00539067% change) linmin: converged after 3 iterations. iteration 11: trace = 6.803510146231969 (0.00424862% change) linmin: converged after 4 iterations. iteration 12: trace = 6.803404293585838 (0.00155587% change) large trace change predicted (0.00417129%) linmin: converged after 3 iterations. iteration 13: trace = 6.803119569202455 (0.00418512% change) linmin: converged after 3 iterations. iteration 14: trace = 6.802867712080669 (0.00370215% change) linmin: converged after 3 iterations. iteration 15: trace = 6.802805679476821 (0.000911864% change) large trace change predicted (0.00372636%) linmin: converged after 3 iterations. iteration 16: trace = 6.802551024823352 (0.00374345% change) linmin: converged after 3 iterations. iteration 17: trace = 6.802508973782831 (0.000618168% change) large trace change predicted (0.00153263%) linmin: converged after 3 iterations. iteration 18: trace = 6.802404655597244 (0.00153354% change) linmin: converged after 3 iterations. iteration 19: trace = 6.802277850823319 (0.00186413% change) linmin: converged after 4 iterations. iteration 20: trace = 6.80224807361718 (0.000437754% change) large trace change predicted (0.00129486%) linmin: converged after 3 iterations. iteration 21: trace = 6.802159892256304 (0.00129636% change) linmin: converged after 4 iterations. iteration 22: trace = 6.802106649041168 (0.000782743% change) linmin: converged after 4 iterations. iteration 23: trace = 6.802080560879342 (0.000383531% change) linmin: converged after 5 iterations. iteration 24: trace = 6.802028472126472 (0.00076578% change) linmin: converged after 4 iterations. iteration 25: trace = 6.802014944461551 (0.000198877% change) linmin: converged after 3 iterations. iteration 26: trace = 6.801991532842946 (0.000344187% change) linmin: converged after 4 iterations. iteration 27: trace = 6.801971643718956 (0.000292402% change) linmin: converged after 5 iterations. iteration 28: trace = 6.801964343409159 (0.000107326% change) linmin: converged after 3 iterations. iteration 29: trace = 6.801951860472178 (0.00018352% change) linmin: converged after 3 iterations. iteration 30: trace = 6.80193992123176 (0.000175527% change) linmin: converged after 4 iterations. iteration 31: trace = 6.8019347224905 (7.64303e-05% change) large trace change predicted (0.000224424%) linmin: converged after 3 iterations. iteration 32: trace = 6.801919460551542 (0.000224377% change) linmin: converged after 3 iterations. iteration 33: trace = 6.801915603873027 (5.66999e-05% change) large trace change predicted (0.000120615%) linmin: converged after 3 iterations. iteration 34: trace = 6.801907401546496 (0.000120589% change) linmin: converged after 2 iterations. iteration 35: trace = 6.801902844224635 (6.70007e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.801901505410763 (1.96829e-05% change) large trace change predicted (5.40576e-05%) linmin: converged after 3 iterations. iteration 37: trace = 6.801897828645328 (5.4055e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.801896447781832 (2.03012e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 6.801893985154607 (3.6205e-05% change) linmin: converged after 3 iterations. iteration 40: trace = 6.801891655188666 (3.42547e-05% change) linmin: converged after 3 iterations. iteration 41: trace = 6.801890928106249 (1.06894e-05% change) large trace change predicted (2.48785e-05%) linmin: converged after 3 iterations. iteration 42: trace = 6.801889236057283 (2.48762e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 6.801888576275486 (9.69998e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 6.801888002037417 (8.44233e-06% change) linmin: converged after 3 iterations. iteration 45: trace = 6.801887476771526 (7.72235e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 6.801887237577339 (3.51659e-06% change) large trace change predicted (7.20083e-06%) linmin: converged after 5 iterations. iteration 47: trace = 6.801886747721769 (7.20176e-06% change) linmin: converged after 3 iterations. iteration 48: trace = 6.801885924272996 (1.21062e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 6.801885693807801 (3.38825e-06% change) linmin: converged after 17 iterations. iteration 50: trace = 6.801885361416264 (4.88676e-06% change) linmin: converged after 2 iterations. iteration 51: trace = 6.80188522239062 (2.04393e-06% change) linmin: converged after 2 iterations. iteration 52: trace = 6.801885141352441 (1.19141e-06% change) linmin: converged after 4 iterations. iteration 53: trace = 6.801885020508279 (1.77663e-06% change) linmin: converged after 22 iterations. iteration 54: trace = 6.801884977849394 (6.27163e-07% change) large trace change predicted (1.70997e-06%) linmin: converged after 2 iterations. iteration 55: trace = 6.801884861539077 (1.70997e-06% change) linmin: converged after 7 iterations. iteration 56: trace = 6.801884785339269 (1.12027e-06% change) linmin: converged after 2 iterations. iteration 57: trace = 6.801884748592582 (5.40243e-07% change) linmin: converged after 3 iterations. iteration 58: trace = 6.801884692834307 (8.19747e-07% change) linmin: converged after 10 iterations. iteration 59: trace = 6.801884676880547 (2.34549e-07% change) linmin: converged after 22 iterations. iteration 60: trace = 6.801884646354186 (4.48793e-07% change) linmin: converged after 5 iterations. iteration 61: trace = 6.801884621738404 (3.61896e-07% change) linmin: converged after 4 iterations. iteration 62: trace = 6.801884612410207 (1.37141e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 6.801884594022365 (2.70335e-07% change) linmin: converged after 2 iterations. iteration 64: trace = 6.801884583611135 (1.53064e-07% change) linmin: converged after 21 iterations. iteration 65: trace = 6.801884576521786 (1.04226e-07% change) linmin: converged after 3 iterations. iteration 66: trace = 6.801884566812912 (1.42738e-07% change) linmin: converged after 7 iterations. iteration 67: trace = 6.801884562951831 (5.67649e-08% change) linmin: converged after 13 iterations. iteration 68: trace = 6.801884555553332 (1.08771e-07% change) linmin: converged after 9 iterations. iteration 69: trace = 6.801884548992584 (9.64549e-08% change) resetting CG direction... linmin: converged after 14 iterations. iteration 70: trace = 6.801884547479101 (2.22509e-08% change) linmin: converged after 4 iterations. iteration 71: trace = 6.80188454535635 (3.12083e-08% change) linmin: converged after 4 iterations. iteration 72: trace = 6.80188454418386 (1.72377e-08% change) linmin: converged after 21 iterations. iteration 73: trace = 6.801884543124489 (1.55747e-08% change) linmin: converged after 8 iterations. iteration 74: trace = 6.801884541768386 (1.99372e-08% change) linmin: converged after 4 iterations. iteration 75: trace = 6.801884541397031 (5.45958e-09% change) large trace change predicted (1.91334e-08%) linmin: converged after 4 iterations. iteration 76: trace = 6.80188454009563 (1.9133e-08% change) linmin: converged after 7 iterations. iteration 77: trace = 6.801884539585163 (7.50478e-09% change) linmin: converged after 3 iterations. iteration 78: trace = 6.801884539070061 (7.57294e-09% change) linmin: converged after 25 iterations. iteration 79: trace = 6.801884538419475 (9.56479e-09% change) linmin: converged after 24 iterations. iteration 80: trace = 6.801884538215731 (2.9954e-09% change) large trace change predicted (9.92798e-09%) linmin: converged after 7 iterations. iteration 81: trace = 6.801884537540441 (9.92798e-09% change) linmin: converged after 5 iterations. iteration 82: trace = 6.801884537123464 (6.13031e-09% change) linmin: converged after 10 iterations. iteration 83: trace = 6.801884536928386 (2.86801e-09% change) linmin: converged after 4 iterations. iteration 84: trace = 6.801884536582947 (5.07857e-09% change) linmin: converged after 4 iterations. iteration 85: trace = 6.801884536355816 (3.33924e-09% change) linmin: converged after 4 iterations. iteration 86: trace = 6.801884536231722 (1.8244e-09% change) linmin: converged after 7 iterations. iteration 87: trace = 6.8018845360968 (1.9836e-09% change) linmin: converged after 4 iterations. iteration 88: trace = 6.801884536051299 (6.68953e-10% change) large trace change predicted (1.76887e-09%) linmin: converged after 4 iterations. iteration 89: trace = 6.801884535930984 (1.76884e-09% change) linmin: converged after 4 iterations. iteration 90: trace = 6.801884535895946 (5.15131e-10% change) large trace change predicted (1.19387e-09%) linmin: converged after 18 iterations. iteration 91: trace = 6.801884535814741 (1.19385e-09% change) linmin: converged after 3 iterations. iteration 92: trace = 6.801884535776381 (5.63968e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 6.801884535763251 (1.93034e-10% change) large trace change predicted (4.61753e-10%) linmin: converged after 4 iterations. iteration 94: trace = 6.801884535731835 (4.61868e-10% change) linmin: converged after 4 iterations. iteration 95: trace = 6.801884535723564 (1.21608e-10% change) linmin: converged after 2 iterations. iteration 96: trace = 6.801884535707298 (2.39128e-10% change) linmin: converged after 4 iterations. iteration 97: trace = 6.801884535690956 (2.40264e-10% change) linmin: converged after 11 iterations. iteration 98: trace = 6.80188453568022 (1.57843e-10% change) linmin: converged after 4 iterations. iteration 99: trace = 6.801884535667501 (1.86988e-10% change) linmin: converged after 12 iterations. iteration 100: trace = 6.801884535652428 (2.21604e-10% change) linmin: converged after 7 iterations. iteration 101: trace = 6.801884535649687 (4.02965e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.238847, 0.561888, 0.796082, 0.816438, 0.967926, 1.09564, 1.12526, 1.31351 elapsed time for k point: 1.6935229301452637 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.925881837544479 (0.086981% change) linmin: converged after 3 iterations. iteration 2: trace = 6.922922543401378 (0.0427372% change) linmin: converged after 4 iterations. iteration 3: trace = 6.920648509564435 (0.0328533% change) linmin: converged after 5 iterations. iteration 4: trace = 6.919688715133839 (0.0138695% change) linmin: converged after 4 iterations. iteration 5: trace = 6.919278612521358 (0.00592678% change) large trace change predicted (0.0145668%) linmin: converged after 4 iterations. iteration 6: trace = 6.918274799298294 (0.0145085% change) linmin: converged after 4 iterations. iteration 7: trace = 6.917573077820284 (0.0101435% change) linmin: converged after 3 iterations. iteration 8: trace = 6.91717050176716 (0.00581978% change) linmin: converged after 5 iterations. iteration 9: trace = 6.916380856589052 (0.0114164% change) linmin: converged after 3 iterations. iteration 10: trace = 6.91593849628644 (0.00639604% change) linmin: converged after 4 iterations. iteration 11: trace = 6.915627896953168 (0.00449117% change) linmin: converged after 3 iterations. iteration 12: trace = 6.915057594348558 (0.00824692% change) linmin: converged after 3 iterations. iteration 13: trace = 6.914570523520579 (0.00704387% change) linmin: converged after 4 iterations. iteration 14: trace = 6.914423347882011 (0.00212851% change) large trace change predicted (0.00433596%) linmin: converged after 3 iterations. iteration 15: trace = 6.914122171922708 (0.00435586% change) linmin: converged after 3 iterations. iteration 16: trace = 6.913960746397684 (0.00233475% change) linmin: converged after 3 iterations. iteration 17: trace = 6.913682734567881 (0.0040211% change) linmin: converged after 3 iterations. iteration 18: trace = 6.913569624558694 (0.00163604% change) linmin: converged after 3 iterations. iteration 19: trace = 6.91334349712384 (0.00327083% change) linmin: converged after 3 iterations. iteration 20: trace = 6.913262822175435 (0.00116695% change) linmin: converged after 4 iterations. iteration 21: trace = 6.913199854839451 (0.000910824% change) linmin: converged after 8 iterations. iteration 22: trace = 6.913142015550251 (0.000836654% change) linmin: converged after 4 iterations. iteration 23: trace = 6.913115944702634 (0.000377121% change) linmin: converged after 3 iterations. iteration 24: trace = 6.913090503915313 (0.000368008% change) linmin: converged after 4 iterations. iteration 25: trace = 6.913046698099949 (0.000633667% change) linmin: converged after 4 iterations. iteration 26: trace = 6.91302015040219 (0.000384024% change) linmin: converged after 3 iterations. iteration 27: trace = 6.913001671730555 (0.000267303% change) linmin: converged after 3 iterations. iteration 28: trace = 6.912976176270318 (0.000368805% change) linmin: converged after 3 iterations. iteration 29: trace = 6.912967324206528 (0.00012805% change) linmin: converged after 3 iterations. iteration 30: trace = 6.912958440907714 (0.000128502% change) linmin: converged after 3 iterations. iteration 31: trace = 6.912946530755768 (0.000172287% change) linmin: converged after 3 iterations. iteration 32: trace = 6.912940593779309 (8.5882e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.912933446667881 (0.000103387% change) linmin: converged after 3 iterations. iteration 34: trace = 6.912927781701661 (8.19474e-05% change) linmin: converged after 3 iterations. iteration 35: trace = 6.912925519977078 (3.27173e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.912923362753137 (3.12057e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 6.912920249517295 (4.5035e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.912919179065053 (1.54848e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.912917515818457 (2.406e-05% change) linmin: converged after 3 iterations. iteration 40: trace = 6.912916311740449 (1.74178e-05% change) linmin: converged after 3 iterations. iteration 41: trace = 6.912915790011317 (7.54716e-06% change) linmin: converged after 2 iterations. iteration 42: trace = 6.912915201021425 (8.52014e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 6.912914537775412 (9.5943e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 6.912914242363237 (4.27334e-06% change) linmin: converged after 4 iterations. iteration 45: trace = 6.912913740529594 (7.25936e-06% change) linmin: converged after 4 iterations. iteration 46: trace = 6.91291314894058 (8.55774e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.91291287200059 (4.00613e-06% change) linmin: converged after 3 iterations. iteration 48: trace = 6.912912646882009 (3.25649e-06% change) linmin: converged after 3 iterations. iteration 49: trace = 6.912912495529373 (2.18942e-06% change) linmin: converged after 3 iterations. iteration 50: trace = 6.912912411532265 (1.21508e-06% change) linmin: converged after 4 iterations. iteration 51: trace = 6.912912259554308 (2.19846e-06% change) linmin: converged after 2 iterations. iteration 52: trace = 6.912912082215581 (2.56533e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.912912028688 (7.74313e-07% change) large trace change predicted (1.66444e-06%) linmin: converged after 3 iterations. iteration 54: trace = 6.912911913620105 (1.66454e-06% change) linmin: converged after 9 iterations. iteration 55: trace = 6.912911828489501 (1.23147e-06% change) linmin: converged after 2 iterations. iteration 56: trace = 6.912911760376632 (9.85299e-07% change) linmin: converged after 10 iterations. iteration 57: trace = 6.912911670539457 (1.29956e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.912911547698275 (1.77698e-06% change) linmin: converged after 3 iterations. iteration 59: trace = 6.912911507490226 (5.81637e-07% change) large trace change predicted (2.34595e-06%) linmin: converged after 3 iterations. iteration 60: trace = 6.912911345309531 (2.34605e-06% change) large trace change predicted (5.35108e-06%) linmin: converged after 5 iterations. iteration 61: trace = 6.91291097536935 (5.35144e-06% change) large trace change predicted (1.80234e-05%) linmin: converged after 3 iterations. iteration 62: trace = 6.912909728258958 (1.80403e-05% change) near maximum in trace linmin: converged after 10 iterations. iteration 63: trace = 6.911185393077019 (0.0249468% change) linmin: converged after 4 iterations. iteration 64: trace = 6.91118367147593 (2.49104e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.911181969613667 (2.46248e-05% change) linmin: converged after 5 iterations. iteration 66: trace = 6.911180288791517 (2.43203e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 6.911178629985976 (2.40018e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 6.911176993895941 (2.36731e-05% change) linmin: converged after 5 iterations. iteration 69: trace = 6.911175380985771 (2.33377e-05% change) resetting CG direction... large trace change predicted (0.0527074%) linmin: converged after 5 iterations. iteration 70: trace = 6.907657129832644 (0.0509197% change) linmin: converged after 3 iterations. iteration 71: trace = 6.902468413703264 (0.0751436% change) linmin: converged after 3 iterations. iteration 72: trace = 6.897861672111375 (0.0667628% change) linmin: converged after 3 iterations. iteration 73: trace = 6.894949455658554 (0.042228% change) large trace change predicted (0.157365%) linmin: converged after 4 iterations. iteration 74: trace = 6.884244306207632 (0.155381% change) linmin: converged after 4 iterations. iteration 75: trace = 6.871506489160218 (0.1852% change) linmin: converged after 4 iterations. iteration 76: trace = 6.858189487828043 (0.193988% change) linmin: converged after 7 iterations. iteration 77: trace = 6.843316548117449 (0.217099% change) linmin: converged after 4 iterations. iteration 78: trace = 6.835441227057848 (0.115147% change) linmin: converged after 4 iterations. iteration 79: trace = 6.821436564967751 (0.205093% change) linmin: converged after 4 iterations. iteration 80: trace = 6.815552529964489 (0.0862952% change) large trace change predicted (0.222161%) linmin: converged after 4 iterations. iteration 81: trace = 6.800023899516288 (0.228101% change) linmin: converged after 4 iterations. iteration 82: trace = 6.792296264133098 (0.113706% change) linmin: converged after 4 iterations. iteration 83: trace = 6.778823841727295 (0.198545% change) linmin: converged after 4 iterations. iteration 84: trace = 6.771070663289754 (0.114439% change) linmin: converged after 4 iterations. iteration 85: trace = 6.762480468388647 (0.126947% change) linmin: converged after 4 iterations. iteration 86: trace = 6.758870693077593 (0.0533937% change) linmin: converged after 4 iterations. iteration 87: trace = 6.752917208723614 (0.0881228% change) linmin: converged after 4 iterations. iteration 88: trace = 6.749419907066813 (0.0518029% change) linmin: converged after 3 iterations. iteration 89: trace = 6.746875244878918 (0.037709% change) linmin: converged after 3 iterations. iteration 90: trace = 6.74383938797993 (0.0450066% change) linmin: converged after 3 iterations. iteration 91: trace = 6.741207662967838 (0.0390318% change) linmin: converged after 4 iterations. iteration 92: trace = 6.736977728474094 (0.0627671% change) linmin: converged after 4 iterations. iteration 93: trace = 6.73439665136903 (0.0383194% change) linmin: converged after 4 iterations. iteration 94: trace = 6.730754177074322 (0.0541022% change) linmin: converged after 3 iterations. iteration 95: trace = 6.727544776172203 (0.047694% change) linmin: converged after 3 iterations. iteration 96: trace = 6.725131773694811 (0.0358739% change) linmin: converged after 4 iterations. iteration 97: trace = 6.72129740903007 (0.0570317% change) linmin: converged after 3 iterations. iteration 98: trace = 6.718823452220851 (0.0368145% change) linmin: converged after 3 iterations. iteration 99: trace = 6.716680315131996 (0.0319026% change) linmin: converged after 3 iterations. iteration 100: trace = 6.714121154059383 (0.0381088% change) linmin: converged after 3 iterations. iteration 101: trace = 6.712346863524536 (0.0264297% change) linmin: converged after 4 iterations. iteration 102: trace = 6.710033017719852 (0.0344774% change) linmin: converged after 4 iterations. iteration 103: trace = 6.708011443368953 (0.0301322% change) linmin: converged after 4 iterations. iteration 104: trace = 6.706796314755403 (0.0181162% change) linmin: converged after 4 iterations. iteration 105: trace = 6.704851674095723 (0.0289993% change) linmin: converged after 4 iterations. iteration 106: trace = 6.703124634310561 (0.0257614% change) linmin: converged after 4 iterations. iteration 107: trace = 6.70177582318772 (0.0201241% change) linmin: converged after 4 iterations. iteration 108: trace = 6.700065941565632 (0.0255171% change) linmin: converged after 3 iterations. iteration 109: trace = 6.699148241189743 (0.0136978% change) linmin: converged after 3 iterations. iteration 110: trace = 6.698130048882208 (0.0152% change) linmin: converged after 3 iterations. iteration 111: trace = 6.697018075487946 (0.0166026% change) linmin: converged after 3 iterations. iteration 112: trace = 6.696200343739781 (0.0122111% change) linmin: converged after 4 iterations. iteration 113: trace = 6.694851624582831 (0.0201436% change) linmin: converged after 3 iterations. iteration 114: trace = 6.693803072222448 (0.0156633% change) linmin: converged after 3 iterations. iteration 115: trace = 6.692697073595853 (0.0165241% change) linmin: converged after 3 iterations. iteration 116: trace = 6.691116516565207 (0.0236189% change) linmin: converged after 4 iterations. iteration 117: trace = 6.690276631551747 (0.012553% change) linmin: converged after 4 iterations. iteration 118: trace = 6.689409548880689 (0.0129612% change) linmin: converged after 3 iterations. iteration 119: trace = 6.68867363131473 (0.0110018% change) linmin: converged after 3 iterations. iteration 120: trace = 6.688318928052738 (0.00530318% change) linmin: converged after 3 iterations. iteration 121: trace = 6.687926901803968 (0.00586153% change) linmin: converged after 3 iterations. iteration 122: trace = 6.687629911720812 (0.00444079% change) linmin: converged after 3 iterations. iteration 123: trace = 6.68738585452626 (0.00364945% change) linmin: converged after 3 iterations. iteration 124: trace = 6.686986544442317 (0.00597127% change) linmin: converged after 3 iterations. iteration 125: trace = 6.686678114899344 (0.00461249% change) linmin: converged after 3 iterations. iteration 126: trace = 6.686328553155131 (0.00522787% change) linmin: converged after 4 iterations. iteration 127: trace = 6.685820017551619 (0.00760589% change) linmin: converged after 3 iterations. iteration 128: trace = 6.685490510632148 (0.00492857% change) linmin: converged after 3 iterations. iteration 129: trace = 6.685079018932911 (0.00615519% change) linmin: converged after 3 iterations. iteration 130: trace = 6.684614210279556 (0.00695317% change) linmin: converged after 3 iterations. iteration 131: trace = 6.684332186536651 (0.00421909% change) linmin: converged after 3 iterations. iteration 132: trace = 6.684015335688402 (0.00474031% change) linmin: converged after 3 iterations. iteration 133: trace = 6.683782321624395 (0.0034862% change) linmin: converged after 3 iterations. iteration 134: trace = 6.683581979367679 (0.00299748% change) linmin: converged after 3 iterations. iteration 135: trace = 6.683272061136414 (0.00463712% change) linmin: converged after 3 iterations. iteration 136: trace = 6.683075916712733 (0.0029349% change) linmin: converged after 3 iterations. iteration 137: trace = 6.682895358435568 (0.00270176% change) linmin: converged after 4 iterations. iteration 138: trace = 6.682675392680484 (0.00329153% change) linmin: converged after 3 iterations. iteration 139: trace = 6.682537476145711 (0.00206381% change) resetting CG direction... large trace change predicted (0.00535143%) linmin: converged after 3 iterations. iteration 140: trace = 6.682179994222468 (0.00534964% change) linmin: converged after 3 iterations. iteration 141: trace = 6.681850409637565 (0.00493241% change) linmin: converged after 4 iterations. iteration 142: trace = 6.681413457725213 (0.0065396% change) linmin: converged after 3 iterations. iteration 143: trace = 6.681185954708557 (0.00340507% change) linmin: converged after 4 iterations. iteration 144: trace = 6.681010081032262 (0.00263241% change) linmin: converged after 4 iterations. iteration 145: trace = 6.680765557745659 (0.00366004% change) linmin: converged after 4 iterations. iteration 146: trace = 6.680670580458679 (0.00142166% change) linmin: converged after 3 iterations. iteration 147: trace = 6.680567484928649 (0.0015432% change) linmin: converged after 4 iterations. iteration 148: trace = 6.680466705445292 (0.00150856% change) linmin: converged after 3 iterations. iteration 149: trace = 6.680432675460031 (0.000509397% change) linmin: converged after 3 iterations. iteration 150: trace = 6.680373287280741 (0.000888991% change) linmin: converged after 3 iterations. iteration 151: trace = 6.68031821272886 (0.000824427% change) linmin: converged after 3 iterations. iteration 152: trace = 6.680282585566826 (0.000533317% change) linmin: converged after 5 iterations. iteration 153: trace = 6.680231338230721 (0.000767146% change) linmin: converged after 3 iterations. iteration 154: trace = 6.680183622456849 (0.000714286% change) linmin: converged after 7 iterations. iteration 155: trace = 6.680168699702328 (0.000223389% change) linmin: converged after 3 iterations. iteration 156: trace = 6.680152381490762 (0.000244279% change) linmin: converged after 4 iterations. iteration 157: trace = 6.680132525266451 (0.000297243% change) linmin: converged after 3 iterations. iteration 158: trace = 6.680126933068794 (8.37139e-05% change) linmin: converged after 3 iterations. iteration 159: trace = 6.680115938005601 (0.000164594% change) linmin: converged after 3 iterations. iteration 160: trace = 6.680105809665364 (0.000151619% change) linmin: converged after 6 iterations. iteration 161: trace = 6.680101248543336 (6.82792e-05% change) linmin: converged after 4 iterations. iteration 162: trace = 6.680094303180268 (0.000103971% change) linmin: converged after 4 iterations. iteration 163: trace = 6.680087939326453 (9.5266e-05% change) linmin: converged after 4 iterations. iteration 164: trace = 6.680085769155111 (3.24872e-05% change) linmin: converged after 3 iterations. iteration 165: trace = 6.680081951698823 (5.71468e-05% change) linmin: converged after 4 iterations. iteration 166: trace = 6.680079677381348 (3.40463e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 6.680078471037373 (1.80588e-05% change) linmin: converged after 5 iterations. iteration 168: trace = 6.680076202435418 (3.39607e-05% change) linmin: converged after 4 iterations. iteration 169: trace = 6.680074149211069 (3.07365e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 6.680073440795031 (1.06049e-05% change) linmin: converged after 3 iterations. iteration 171: trace = 6.680072445475028 (1.48998e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 6.680071641648158 (1.20332e-05% change) linmin: converged after 4 iterations. iteration 173: trace = 6.680071259671085 (5.71816e-06% change) linmin: converged after 3 iterations. iteration 174: trace = 6.680070547093229 (1.06672e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 6.680070334243029 (3.18635e-06% change) linmin: converged after 3 iterations. iteration 176: trace = 6.680070127908367 (3.08881e-06% change) linmin: converged after 4 iterations. iteration 177: trace = 6.680069765439852 (5.42612e-06% change) linmin: converged after 5 iterations. iteration 178: trace = 6.680069497510114 (4.01088e-06% change) linmin: converged after 7 iterations. iteration 179: trace = 6.680069312136231 (2.77503e-06% change) linmin: converged after 3 iterations. iteration 180: trace = 6.680069025021088 (4.29809e-06% change) linmin: converged after 4 iterations. iteration 181: trace = 6.680068830945213 (2.9053e-06% change) linmin: converged after 4 iterations. iteration 182: trace = 6.680068750172554 (1.20916e-06% change) linmin: converged after 13 iterations. iteration 183: trace = 6.680068605941303 (2.15913e-06% change) linmin: converged after 4 iterations. iteration 184: trace = 6.680068542475873 (9.50072e-07% change) linmin: converged after 10 iterations. iteration 185: trace = 6.680068493082165 (7.39419e-07% change) linmin: converged after 5 iterations. iteration 186: trace = 6.680068423278001 (1.04496e-06% change) linmin: converged after 4 iterations. iteration 187: trace = 6.680068338683723 (1.26637e-06% change) linmin: converged after 3 iterations. iteration 188: trace = 6.680068303958875 (5.19828e-07% change) linmin: converged after 6 iterations. iteration 189: trace = 6.680068259050731 (6.72271e-07% change) linmin: converged after 3 iterations. iteration 190: trace = 6.680068249064236 (1.49497e-07% change) linmin: converged after 4 iterations. iteration 191: trace = 6.68006823041908 (2.79116e-07% change) linmin: converged after 6 iterations. iteration 192: trace = 6.680068220280733 (1.5177e-07% change) linmin: converged after 6 iterations. iteration 193: trace = 6.680068213905047 (9.54434e-08% change) linmin: converged after 3 iterations. iteration 194: trace = 6.680068206951729 (1.04091e-07% change) linmin: converged after 8 iterations. iteration 195: trace = 6.680068201531451 (8.11411e-08% change) linmin: converged after 7 iterations. iteration 196: trace = 6.680068198283792 (4.86172e-08% change) linmin: converged after 4 iterations. iteration 197: trace = 6.680068193641508 (6.94946e-08% change) linmin: converged after 4 iterations. iteration 198: trace = 6.680068189436919 (6.29423e-08% change) linmin: converged after 4 iterations. iteration 199: trace = 6.680068188122175 (1.96816e-08% change) linmin: converged after 4 iterations. iteration 200: trace = 6.6800681860471 (3.10637e-08% change) linmin: converged after 6 iterations. iteration 201: trace = 6.680068184313887 (2.5946e-08% change) linmin: converged after 6 iterations. iteration 202: trace = 6.680068183158305 (1.7299e-08% change) linmin: converged after 4 iterations. iteration 203: trace = 6.680068181684476 (2.20631e-08% change) linmin: converged after 4 iterations. iteration 204: trace = 6.680068179985613 (2.54318e-08% change) linmin: converged after 19 iterations. iteration 205: trace = 6.680068179507776 (7.15317e-09% change) linmin: converged after 4 iterations. iteration 206: trace = 6.680068178929909 (8.65061e-09% change) linmin: converged after 2 iterations. iteration 207: trace = 6.680068178441998 (7.30398e-09% change) linmin: converged after 4 iterations. iteration 208: trace = 6.680068178275915 (2.48625e-09% change) large trace change predicted (5.68418e-09%) linmin: converged after 22 iterations. iteration 209: trace = 6.680068177896195 (5.68438e-09% change) resetting CG direction... linmin: converged after 23 iterations. iteration 210: trace = 6.680068177754679 (2.11848e-09% change) linmin: converged after 6 iterations. iteration 211: trace = 6.680068177683448 (1.06632e-09% change) linmin: converged after 4 iterations. iteration 212: trace = 6.680068177578778 (1.5669e-09% change) linmin: converged after 18 iterations. iteration 213: trace = 6.680068177485881 (1.39065e-09% change) linmin: converged after 4 iterations. iteration 214: trace = 6.680068177439567 (6.93317e-10% change) linmin: converged after 10 iterations. iteration 215: trace = 6.680068177349692 (1.34543e-09% change) linmin: converged after 3 iterations. iteration 216: trace = 6.680068177294726 (8.22833e-10% change) linmin: converged after 22 iterations. iteration 217: trace = 6.680068177268423 (3.9376e-10% change) linmin: converged after 4 iterations. iteration 218: trace = 6.680068177226308 (6.30454e-10% change) linmin: converged after 4 iterations. iteration 219: trace = 6.680068177199963 (3.94384e-10% change) linmin: converged after 10 iterations. iteration 220: trace = 6.680068177183108 (2.52317e-10% change) linmin: converged after 4 iterations. iteration 221: trace = 6.680068177152446 (4.59003e-10% change) linmin: converged after 9 iterations. iteration 222: trace = 6.680068177129664 (3.41041e-10% change) linmin: converged after 6 iterations. iteration 223: trace = 6.68006817711732 (1.84787e-10% change) linmin: converged after 6 iterations. iteration 224: trace = 6.680068177095363 (3.28702e-10% change) linmin: converged after 6 iterations. iteration 225: trace = 6.68006817708334 (1.79974e-10% change) linmin: converged after 7 iterations. iteration 226: trace = 6.680068177076688 (9.95867e-11% change) Finished solving for bands 1 to 8 after 226 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.307852, 0.505558, 0.80155, 0.837884, 0.938877, 1.07767, 1.16248, 1.26133 elapsed time for k point: 3.7671520709991455 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.654587397038034 (0.0686611% change) linmin: converged after 4 iterations. iteration 2: trace = 6.650159657419518 (0.0665588% change) linmin: converged after 4 iterations. iteration 3: trace = 6.648179090724118 (0.0297867% change) linmin: converged after 4 iterations. iteration 4: trace = 6.647534113558189 (0.00970203% change) linmin: converged after 3 iterations. iteration 5: trace = 6.646966553053057 (0.00853827% change) linmin: converged after 3 iterations. iteration 6: trace = 6.645993970435144 (0.014633% change) linmin: converged after 4 iterations. iteration 7: trace = 6.645304711729183 (0.0103716% change) linmin: converged after 3 iterations. iteration 8: trace = 6.644933049342307 (0.00559301% change) linmin: converged after 5 iterations. iteration 9: trace = 6.644423304998859 (0.00767147% change) linmin: converged after 3 iterations. iteration 10: trace = 6.644201125295079 (0.00334391% change) linmin: converged after 3 iterations. iteration 11: trace = 6.64399028650684 (0.00317333% change) linmin: converged after 4 iterations. iteration 12: trace = 6.643843525276779 (0.00220896% change) linmin: converged after 3 iterations. iteration 13: trace = 6.643564744877501 (0.00419616% change) linmin: converged after 4 iterations. iteration 14: trace = 6.643279457469917 (0.00429428% change) linmin: converged after 3 iterations. iteration 15: trace = 6.643071621543748 (0.00312856% change) linmin: converged after 3 iterations. iteration 16: trace = 6.642974793109794 (0.0014576% change) linmin: converged after 4 iterations. iteration 17: trace = 6.642909146157341 (0.000988221% change) linmin: converged after 3 iterations. iteration 18: trace = 6.642890185596106 (0.000285426% change) linmin: converged after 3 iterations. iteration 19: trace = 6.64286886453095 (0.000320961% change) linmin: converged after 3 iterations. iteration 20: trace = 6.642841258890046 (0.000415569% change) linmin: converged after 4 iterations. iteration 21: trace = 6.642822892372707 (0.000276486% change) linmin: converged after 3 iterations. iteration 22: trace = 6.642805066553222 (0.000268347% change) linmin: converged after 3 iterations. iteration 23: trace = 6.6427914408037 (0.000205121% change) linmin: converged after 3 iterations. iteration 24: trace = 6.642785630123117 (8.74735e-05% change) linmin: converged after 3 iterations. iteration 25: trace = 6.64278297177919 (4.00185e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 6.642780011472787 (4.45643e-05% change) linmin: converged after 3 iterations. iteration 27: trace = 6.642778217661988 (2.70039e-05% change) linmin: converged after 3 iterations. iteration 28: trace = 6.642777034126608 (1.78169e-05% change) large trace change predicted (3.7247e-05%) linmin: converged after 8 iterations. iteration 29: trace = 6.642774560886161 (3.7232e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 6.642773637905739 (1.38945e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 6.642772723327556 (1.3768e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.642771828364485 (1.34727e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.642770875760709 (1.43405e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 6.642770554031836 (4.84329e-06% change) linmin: converged after 3 iterations. iteration 35: trace = 6.642770128431846 (6.40697e-06% change) linmin: converged after 4 iterations. iteration 36: trace = 6.642769885768759 (3.65304e-06% change) linmin: converged after 3 iterations. iteration 37: trace = 6.642769776745833 (1.64123e-06% change) linmin: converged after 3 iterations. iteration 38: trace = 6.642769636169435 (2.11623e-06% change) linmin: converged after 2 iterations. iteration 39: trace = 6.64276952991505 (1.59955e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 6.642769482511749 (7.13607e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 6.642769417319168 (9.81407e-07% change) linmin: converged after 3 iterations. iteration 42: trace = 6.642769380715108 (5.51036e-07% change) linmin: converged after 3 iterations. iteration 43: trace = 6.642769352474382 (4.25135e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 6.642769335002533 (2.63021e-07% change) linmin: converged after 3 iterations. iteration 45: trace = 6.642769308481685 (3.99244e-07% change) linmin: converged after 21 iterations. iteration 46: trace = 6.642769296533206 (1.79872e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 6.642769286400722 (1.52534e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 6.642769278108487 (1.24831e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 6.64276926908334 (1.35864e-07% change) linmin: converged after 4 iterations. iteration 50: trace = 6.642769264729613 (6.55408e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 6.642769258431822 (9.48067e-08% change) linmin: converged after 2 iterations. iteration 52: trace = 6.642769255120914 (4.98423e-08% change) linmin: converged after 7 iterations. iteration 53: trace = 6.642769253630963 (2.24297e-08% change) linmin: converged after 4 iterations. iteration 54: trace = 6.642769251338286 (3.45139e-08% change) linmin: converged after 4 iterations. iteration 55: trace = 6.642769250246585 (1.64344e-08% change) linmin: converged after 10 iterations. iteration 56: trace = 6.642769249442216 (1.21089e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.64276924811365 (2.00002e-08% change) linmin: converged after 30 iterations. iteration 58: trace = 6.642769247008247 (1.66407e-08% change) linmin: converged after 8 iterations. iteration 59: trace = 6.642769246645599 (5.4593e-09% change) linmin: converged after 7 iterations. iteration 60: trace = 6.642769246058267 (8.84166e-09% change) linmin: converged after 4 iterations. iteration 61: trace = 6.642769245804135 (3.8257e-09% change) linmin: converged after 4 iterations. iteration 62: trace = 6.642769245604618 (3.00352e-09% change) linmin: converged after 4 iterations. iteration 63: trace = 6.642769245363885 (3.62398e-09% change) linmin: converged after 24 iterations. iteration 64: trace = 6.642769245066871 (4.47124e-09% change) linmin: converged after 21 iterations. iteration 65: trace = 6.642769244987057 (1.20152e-09% change) linmin: converged after 3 iterations. iteration 66: trace = 6.642769244872052 (1.73128e-09% change) linmin: converged after 16 iterations. iteration 67: trace = 6.64276924480631 (9.89679e-10% change) linmin: converged after 5 iterations. iteration 68: trace = 6.642769244757686 (7.31974e-10% change) linmin: converged after 5 iterations. iteration 69: trace = 6.642769244701172 (8.50772e-10% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 6.642769244673583 (4.15318e-10% change) linmin: converged after 19 iterations. iteration 71: trace = 6.642769244658524 (2.26699e-10% change) linmin: converged after 4 iterations. iteration 72: trace = 6.642769244639857 (2.8101e-10% change) linmin: converged after 5 iterations. iteration 73: trace = 6.642769244619058 (3.13113e-10% change) linmin: converged after 9 iterations. iteration 74: trace = 6.64276924461068 (1.26125e-10% change) linmin: converged after 22 iterations. iteration 75: trace = 6.6427692445973 (2.01415e-10% change) linmin: converged after 3 iterations. iteration 76: trace = 6.642769244583963 (2.00773e-10% change) linmin: converged after 4 iterations. iteration 77: trace = 6.642769244577607 (9.56934e-11% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.344122, 0.473282, 0.803737, 0.850595, 0.922321, 1.07128, 1.20345, 1.21829 elapsed time for k point: 1.2959132194519043 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.687429397877081 (0.11781% change) linmin: converged after 3 iterations. iteration 2: trace = 6.682647572819786 (0.0715303% change) linmin: converged after 4 iterations. iteration 3: trace = 6.679627812258096 (0.0451983% change) linmin: converged after 4 iterations. iteration 4: trace = 6.674424627752842 (0.0779267% change) linmin: converged after 4 iterations. iteration 5: trace = 6.670593874153317 (0.057411% change) linmin: converged after 3 iterations. iteration 6: trace = 6.669532479561883 (0.0159128% change) linmin: converged after 4 iterations. iteration 7: trace = 6.668698895802695 (0.0124992% change) linmin: converged after 3 iterations. iteration 8: trace = 6.667450131729347 (0.0187275% change) linmin: converged after 4 iterations. iteration 9: trace = 6.666853814792237 (0.0089441% change) linmin: converged after 3 iterations. iteration 10: trace = 6.666560881584744 (0.00439397% change) large trace change predicted (0.0103206%) linmin: converged after 3 iterations. iteration 11: trace = 6.665873827970538 (0.0103065% change) linmin: converged after 3 iterations. iteration 12: trace = 6.665343863453127 (0.00795073% change) linmin: converged after 4 iterations. iteration 13: trace = 6.66496070501983 (0.00574868% change) linmin: converged after 4 iterations. iteration 14: trace = 6.66447182844662 (0.00733529% change) linmin: converged after 3 iterations. iteration 15: trace = 6.664343403116405 (0.00192703% change) linmin: converged after 3 iterations. iteration 16: trace = 6.6642353861749 (0.00162083% change) linmin: converged after 3 iterations. iteration 17: trace = 6.664099942144182 (0.00203242% change) linmin: converged after 3 iterations. iteration 18: trace = 6.663928195249542 (0.00257723% change) linmin: converged after 3 iterations. iteration 19: trace = 6.663861577090337 (0.000999688% change) linmin: converged after 9 iterations. iteration 20: trace = 6.663812724434005 (0.000733101% change) linmin: converged after 4 iterations. iteration 21: trace = 6.663735486341264 (0.00115907% change) linmin: converged after 3 iterations. iteration 22: trace = 6.66367448008522 (0.000915501% change) linmin: converged after 3 iterations. iteration 23: trace = 6.663634480784047 (0.000600261% change) linmin: converged after 4 iterations. iteration 24: trace = 6.663593035693262 (0.000621961% change) linmin: converged after 3 iterations. iteration 25: trace = 6.6635735884571 (0.000291844% change) linmin: converged after 3 iterations. iteration 26: trace = 6.663564019054911 (0.000143608% change) linmin: converged after 3 iterations. iteration 27: trace = 6.663549047889033 (0.000224672% change) linmin: converged after 3 iterations. iteration 28: trace = 6.663543236047658 (8.72184e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 6.663539631540868 (5.4093e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.663536020990456 (5.41837e-05% change) large trace change predicted (0.000126916%) linmin: converged after 3 iterations. iteration 31: trace = 6.66352756156254 (0.000126951% change) linmin: converged after 19 iterations. iteration 32: trace = 6.663522809837605 (7.13095e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.663519841975479 (4.45389e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.663516773217027 (4.60531e-05% change) linmin: converged after 3 iterations. iteration 35: trace = 6.663513855089722 (4.37926e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.663512821131948 (1.55167e-05% change) large trace change predicted (3.45265e-05%) linmin: converged after 4 iterations. iteration 37: trace = 6.663510520229988 (3.45299e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 6.66350947275942 (1.57195e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 6.663509059252358 (6.20554e-06% change) large trace change predicted (1.53386e-05%) linmin: converged after 3 iterations. iteration 40: trace = 6.663508037090447 (1.53397e-05% change) linmin: converged after 13 iterations. iteration 41: trace = 6.663507371806006 (9.984e-06% change) linmin: converged after 3 iterations. iteration 42: trace = 6.663506897014004 (7.12526e-06% change) linmin: converged after 3 iterations. iteration 43: trace = 6.663506557806492 (5.09053e-06% change) linmin: converged after 3 iterations. iteration 44: trace = 6.663506414371104 (2.15255e-06% change) linmin: converged after 3 iterations. iteration 45: trace = 6.663506331264028 (1.2472e-06% change) linmin: converged after 2 iterations. iteration 46: trace = 6.663506214145754 (1.75761e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 6.663506039653706 (2.61862e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 6.663505984066113 (8.34209e-07% change) linmin: converged after 37 iterations. iteration 49: trace = 6.663505906907555 (1.15793e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 6.663505850793353 (8.42112e-07% change) linmin: converged after 4 iterations. iteration 51: trace = 6.663505805280959 (6.8301e-07% change) linmin: converged after 22 iterations. iteration 52: trace = 6.663505790517366 (2.21559e-07% change) linmin: converged after 9 iterations. iteration 53: trace = 6.663505766496881 (3.60478e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 6.663505741465724 (3.75645e-07% change) linmin: converged after 2 iterations. iteration 55: trace = 6.663505723739862 (2.66014e-07% change) linmin: converged after 7 iterations. iteration 56: trace = 6.663505707368991 (2.4568e-07% change) linmin: converged after 4 iterations. iteration 57: trace = 6.663505697303124 (1.5106e-07% change) linmin: converged after 3 iterations. iteration 58: trace = 6.663505694720829 (3.87528e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.663505691922982 (4.19876e-08% change) linmin: converged after 4 iterations. iteration 60: trace = 6.663505688934311 (4.48513e-08% change) linmin: converged after 4 iterations. iteration 61: trace = 6.663505686205809 (4.09469e-08% change) linmin: converged after 4 iterations. iteration 62: trace = 6.663505684951367 (1.88256e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 6.663505683330282 (2.43278e-08% change) linmin: converged after 2 iterations. iteration 64: trace = 6.663505682018799 (1.96816e-08% change) linmin: converged after 6 iterations. iteration 65: trace = 6.663505681336394 (1.02409e-08% change) linmin: converged after 3 iterations. iteration 66: trace = 6.663505680005755 (1.9969e-08% change) linmin: converged after 6 iterations. iteration 67: trace = 6.663505679199005 (1.2107e-08% change) linmin: converged after 8 iterations. iteration 68: trace = 6.663505678772732 (6.39713e-09% change) linmin: converged after 7 iterations. iteration 69: trace = 6.663505678471603 (4.51908e-09% change) resetting CG direction... linmin: converged after 22 iterations. iteration 70: trace = 6.663505678321505 (2.25255e-09% change) linmin: converged after 18 iterations. iteration 71: trace = 6.663505678225508 (1.44062e-09% change) linmin: converged after 21 iterations. iteration 72: trace = 6.663505678094607 (1.96445e-09% change) linmin: converged after 9 iterations. iteration 73: trace = 6.663505677963816 (1.96279e-09% change) linmin: converged after 2 iterations. iteration 74: trace = 6.663505677908145 (8.35475e-10% change) linmin: converged after 4 iterations. iteration 75: trace = 6.663505677806408 (1.52677e-09% change) linmin: converged after 11 iterations. iteration 76: trace = 6.663505677741171 (9.79028e-10% change) linmin: converged after 4 iterations. iteration 77: trace = 6.663505677711168 (4.50253e-10% change) linmin: converged after 4 iterations. iteration 78: trace = 6.663505677678248 (4.94039e-10% change) linmin: converged after 9 iterations. iteration 79: trace = 6.663505677643162 (5.26535e-10% change) linmin: converged after 4 iterations. iteration 80: trace = 6.663505677622839 (3.04981e-10% change) linmin: converged after 12 iterations. iteration 81: trace = 6.663505677595522 (4.0996e-10% change) linmin: converged after 14 iterations. iteration 82: trace = 6.663505677568699 (4.02536e-10% change) linmin: converged after 4 iterations. iteration 83: trace = 6.663505677544975 (3.56017e-10% change) linmin: converged after 4 iterations. iteration 84: trace = 6.663505677537175 (1.17055e-10% change) linmin: converged after 6 iterations. iteration 85: trace = 6.66350567752796 (1.38302e-10% change) linmin: converged after 3 iterations. iteration 86: trace = 6.663505677520389 (1.13616e-10% change) linmin: converged after 8 iterations. iteration 87: trace = 6.663505677516726 (5.49688e-11% change) Finished solving for bands 1 to 8 after 87 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.349806, 0.482366, 0.768987, 0.886345, 0.90475, 1.06612, 1.21866, 1.22114 elapsed time for k point: 1.4615967273712158 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.744447704587945 (0.144037% change) linmin: converged after 4 iterations. iteration 2: trace = 6.737974511940653 (0.0960242% change) linmin: converged after 4 iterations. iteration 3: trace = 6.732141784751041 (0.0866025% change) linmin: converged after 10 iterations. iteration 4: trace = 6.724828810857272 (0.108687% change) linmin: converged after 4 iterations. iteration 5: trace = 6.721434313858675 (0.0504898% change) linmin: converged after 3 iterations. iteration 6: trace = 6.718962196903805 (0.0367864% change) linmin: converged after 4 iterations. iteration 7: trace = 6.717543118681093 (0.0211227% change) linmin: converged after 3 iterations. iteration 8: trace = 6.716463637856721 (0.0160709% change) linmin: converged after 4 iterations. iteration 9: trace = 6.715767521781257 (0.0103649% change) linmin: converged after 4 iterations. iteration 10: trace = 6.714605714319729 (0.0173012% change) linmin: converged after 3 iterations. iteration 11: trace = 6.713521472174538 (0.0161488% change) linmin: converged after 3 iterations. iteration 12: trace = 6.712581779664538 (0.013998% change) linmin: converged after 3 iterations. iteration 13: trace = 6.711589796980022 (0.0147791% change) linmin: converged after 3 iterations. iteration 14: trace = 6.710907659659812 (0.0101641% change) linmin: converged after 4 iterations. iteration 15: trace = 6.710743949769669 (0.00243949% change) linmin: converged after 3 iterations. iteration 16: trace = 6.710422649942783 (0.00478796% change) linmin: converged after 3 iterations. iteration 17: trace = 6.710149767393594 (0.00406663% change) linmin: converged after 3 iterations. iteration 18: trace = 6.709926562955848 (0.00332643% change) linmin: converged after 3 iterations. iteration 19: trace = 6.709615225605231 (0.00464006% change) linmin: converged after 3 iterations. iteration 20: trace = 6.709383090767944 (0.00345979% change) linmin: converged after 3 iterations. iteration 21: trace = 6.709272386730597 (0.00165% change) linmin: converged after 3 iterations. iteration 22: trace = 6.709164433304879 (0.00160903% change) linmin: converged after 3 iterations. iteration 23: trace = 6.709082283619133 (0.00122445% change) linmin: converged after 3 iterations. iteration 24: trace = 6.709040655858353 (0.000620471% change) linmin: converged after 6 iterations. iteration 25: trace = 6.709012986555438 (0.000412419% change) linmin: converged after 3 iterations. iteration 26: trace = 6.708973602261954 (0.000587037% change) linmin: converged after 3 iterations. iteration 27: trace = 6.708949154911529 (0.000364398% change) linmin: converged after 4 iterations. iteration 28: trace = 6.70893965832253 (0.000141551% change) linmin: converged after 3 iterations. iteration 29: trace = 6.708921852027284 (0.000265412% change) linmin: converged after 3 iterations. iteration 30: trace = 6.70891147083853 (0.000154737% change) linmin: converged after 8 iterations. iteration 31: trace = 6.708903822272145 (0.000114006% change) linmin: converged after 3 iterations. iteration 32: trace = 6.708893718663084 (0.0001506% change) linmin: converged after 3 iterations. iteration 33: trace = 6.708883946185372 (0.000145665% change) linmin: converged after 4 iterations. iteration 34: trace = 6.708879441603606 (6.71436e-05% change) linmin: converged after 3 iterations. iteration 35: trace = 6.708871489308915 (0.000118534% change) linmin: converged after 5 iterations. iteration 36: trace = 6.708866032005275 (8.13446e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.708863198500961 (4.22352e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.708860829177312 (3.53163e-05% change) linmin: converged after 15 iterations. iteration 39: trace = 6.708858448191718 (3.54902e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.70885699985249 (2.15885e-05% change) linmin: converged after 3 iterations. iteration 41: trace = 6.708854902137432 (3.12679e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.70885261073072 (3.4155e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 6.708851929778605 (1.01501e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 6.708851237925775 (1.03125e-05% change) linmin: converged after 4 iterations. iteration 45: trace = 6.708850275898682 (1.43397e-05% change) linmin: converged after 4 iterations. iteration 46: trace = 6.708849647321532 (9.36937e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 6.708848882687112 (1.13974e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.708848313008924 (8.49144e-06% change) linmin: converged after 3 iterations. iteration 49: trace = 6.708847879321713 (6.46441e-06% change) linmin: converged after 3 iterations. iteration 50: trace = 6.70884765872566 (3.28814e-06% change) large trace change predicted (7.01257e-06%) linmin: converged after 12 iterations. iteration 51: trace = 6.708847188245372 (7.01283e-06% change) linmin: converged after 3 iterations. iteration 52: trace = 6.708846832494576 (5.30271e-06% change) linmin: converged after 10 iterations. iteration 53: trace = 6.708846619357585 (3.17695e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 6.708846387903023 (3.44999e-06% change) linmin: converged after 4 iterations. iteration 55: trace = 6.708846177811457 (3.13156e-06% change) linmin: converged after 2 iterations. iteration 56: trace = 6.708846100001177 (1.15982e-06% change) linmin: converged after 15 iterations. iteration 57: trace = 6.708845988857406 (1.65667e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.708845926215863 (9.33716e-07% change) linmin: converged after 3 iterations. iteration 59: trace = 6.708845871905993 (8.09526e-07% change) linmin: converged after 4 iterations. iteration 60: trace = 6.708845822834511 (7.31444e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 6.708845760403781 (9.30573e-07% change) linmin: converged after 3 iterations. iteration 62: trace = 6.708845743014033 (2.59206e-07% change) linmin: converged after 6 iterations. iteration 63: trace = 6.708845724954056 (2.69196e-07% change) linmin: converged after 19 iterations. iteration 64: trace = 6.70884570211977 (3.40361e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 6.708845680346011 (3.24553e-07% change) linmin: converged after 3 iterations. iteration 66: trace = 6.708845664246839 (2.39969e-07% change) linmin: converged after 11 iterations. iteration 67: trace = 6.708845650782274 (2.00699e-07% change) linmin: converged after 4 iterations. iteration 68: trace = 6.708845645407461 (8.01153e-08% change) linmin: converged after 4 iterations. iteration 69: trace = 6.708845642045562 (5.01114e-08% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 6.708845640028099 (3.00717e-08% change) linmin: converged after 4 iterations. iteration 71: trace = 6.708845637679848 (3.50023e-08% change) linmin: converged after 6 iterations. iteration 72: trace = 6.708845634537589 (4.68375e-08% change) linmin: converged after 4 iterations. iteration 73: trace = 6.70884563298837 (2.30922e-08% change) linmin: converged after 4 iterations. iteration 74: trace = 6.708845630878136 (3.14545e-08% change) linmin: converged after 3 iterations. iteration 75: trace = 6.70884562967278 (1.79667e-08% change) linmin: converged after 4 iterations. iteration 76: trace = 6.708845628760082 (1.36044e-08% change) linmin: converged after 3 iterations. iteration 77: trace = 6.708845628233142 (7.85441e-09% change) large trace change predicted (2.489e-08%) linmin: converged after 4 iterations. iteration 78: trace = 6.708845626563308 (2.489e-08% change) linmin: converged after 12 iterations. iteration 79: trace = 6.708845625403914 (1.72816e-08% change) linmin: converged after 4 iterations. iteration 80: trace = 6.708845624796448 (9.0547e-09% change) linmin: converged after 28 iterations. iteration 81: trace = 6.708845624336516 (6.8556e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 6.708845623795757 (8.06039e-09% change) linmin: converged after 2 iterations. iteration 83: trace = 6.708845623395772 (5.96205e-09% change) linmin: converged after 5 iterations. iteration 84: trace = 6.708845623155631 (3.57946e-09% change) linmin: converged after 4 iterations. iteration 85: trace = 6.708845622825324 (4.92346e-09% change) linmin: converged after 6 iterations. iteration 86: trace = 6.708845622523161 (4.50395e-09% change) linmin: converged after 4 iterations. iteration 87: trace = 6.708845622388492 (2.00734e-09% change) linmin: converged after 25 iterations. iteration 88: trace = 6.70884562219625 (2.8655e-09% change) linmin: converged after 21 iterations. iteration 89: trace = 6.70884562208375 (1.67689e-09% change) linmin: converged after 5 iterations. iteration 90: trace = 6.708845622026308 (8.56214e-10% change) linmin: converged after 4 iterations. iteration 91: trace = 6.708845621976767 (7.3844e-10% change) linmin: converged after 2 iterations. iteration 92: trace = 6.708845621907552 (1.0317e-09% change) linmin: converged after 4 iterations. iteration 93: trace = 6.70884562185979 (7.11923e-10% change) linmin: converged after 6 iterations. iteration 94: trace = 6.70884562183892 (3.11088e-10% change) linmin: converged after 4 iterations. iteration 95: trace = 6.708845621811468 (4.09188e-10% change) linmin: converged after 6 iterations. iteration 96: trace = 6.708845621769612 (6.23897e-10% change) linmin: converged after 3 iterations. iteration 97: trace = 6.708845621745522 (3.59079e-10% change) linmin: converged after 12 iterations. iteration 98: trace = 6.708845621735568 (1.48369e-10% change) linmin: converged after 4 iterations. iteration 99: trace = 6.708845621726333 (1.37658e-10% change) linmin: converged after 6 iterations. iteration 100: trace = 6.708845621714922 (1.7008e-10% change) linmin: converged after 7 iterations. iteration 101: trace = 6.708845621703625 (1.68399e-10% change) linmin: converged after 4 iterations. iteration 102: trace = 6.708845621698888 (7.06031e-11% change) Finished solving for bands 1 to 8 after 102 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.365505, 0.508431, 0.720714, 0.859475, 0.938003, 1.05964, 1.21894, 1.25305 elapsed time for k point: 1.7130606174468994 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.789698268284743 (0.215825% change) linmin: converged after 4 iterations. iteration 2: trace = 6.777922782800838 (0.173582% change) linmin: converged after 4 iterations. iteration 3: trace = 6.769206253828235 (0.128685% change) linmin: converged after 4 iterations. iteration 4: trace = 6.763253434595218 (0.0879784% change) linmin: converged after 4 iterations. iteration 5: trace = 6.760899799215792 (0.0348064% change) linmin: converged after 4 iterations. iteration 6: trace = 6.758681354401585 (0.0328182% change) linmin: converged after 3 iterations. iteration 7: trace = 6.757086597997086 (0.0235985% change) linmin: converged after 4 iterations. iteration 8: trace = 6.755832132698291 (0.0185669% change) linmin: converged after 3 iterations. iteration 9: trace = 6.754118468937835 (0.0253689% change) linmin: converged after 4 iterations. iteration 10: trace = 6.751749063263488 (0.0350871% change) linmin: converged after 3 iterations. iteration 11: trace = 6.749302688171857 (0.0362398% change) linmin: converged after 3 iterations. iteration 12: trace = 6.748516461787487 (0.0116497% change) linmin: converged after 4 iterations. iteration 13: trace = 6.747249218096765 (0.0187799% change) linmin: converged after 3 iterations. iteration 14: trace = 6.746632669317854 (0.0091382% change) linmin: converged after 4 iterations. iteration 15: trace = 6.745834574600767 (0.0118302% change) linmin: converged after 3 iterations. iteration 16: trace = 6.74508285876502 (0.011144% change) linmin: converged after 3 iterations. iteration 17: trace = 6.743977467884002 (0.0163894% change) linmin: converged after 3 iterations. iteration 18: trace = 6.74339064162575 (0.00870186% change) linmin: converged after 4 iterations. iteration 19: trace = 6.743072795879538 (0.00471355% change) linmin: converged after 3 iterations. iteration 20: trace = 6.742715962015609 (0.005292% change) linmin: converged after 5 iterations. iteration 21: trace = 6.742464135841708 (0.00373486% change) linmin: converged after 3 iterations. iteration 22: trace = 6.742330582678148 (0.0019808% change) linmin: converged after 3 iterations. iteration 23: trace = 6.742122769128382 (0.00308227% change) linmin: converged after 3 iterations. iteration 24: trace = 6.742003826730045 (0.00176418% change) linmin: converged after 3 iterations. iteration 25: trace = 6.741881006382135 (0.00182174% change) linmin: converged after 3 iterations. iteration 26: trace = 6.741788401855288 (0.00137358% change) linmin: converged after 3 iterations. iteration 27: trace = 6.741624606956591 (0.00242958% change) linmin: converged after 3 iterations. iteration 28: trace = 6.741503264998222 (0.00179991% change) linmin: converged after 3 iterations. iteration 29: trace = 6.741388480915782 (0.00170266% change) linmin: converged after 9 iterations. iteration 30: trace = 6.741262263159514 (0.0018723% change) linmin: converged after 5 iterations. iteration 31: trace = 6.741141885217306 (0.0017857% change) linmin: converged after 3 iterations. iteration 32: trace = 6.74109194469084 (0.000740835% change) large trace change predicted (0.00157115%) linmin: converged after 4 iterations. iteration 33: trace = 6.740986068017622 (0.00157063% change) linmin: converged after 3 iterations. iteration 34: trace = 6.740890543167805 (0.00141709% change) linmin: converged after 4 iterations. iteration 35: trace = 6.740821373715217 (0.00102612% change) linmin: converged after 3 iterations. iteration 36: trace = 6.740737625595997 (0.00124241% change) linmin: converged after 3 iterations. iteration 37: trace = 6.740661829938593 (0.00112445% change) linmin: converged after 3 iterations. iteration 38: trace = 6.740629881421588 (0.000473968% change) linmin: converged after 4 iterations. iteration 39: trace = 6.740602082885014 (0.000412404% change) linmin: converged after 3 iterations. iteration 40: trace = 6.740570557903066 (0.000467689% change) linmin: converged after 4 iterations. iteration 41: trace = 6.740536139643141 (0.000510615% change) linmin: converged after 4 iterations. iteration 42: trace = 6.740511936299086 (0.000359072% change) linmin: converged after 5 iterations. iteration 43: trace = 6.740477774099268 (0.00050682% change) linmin: converged after 4 iterations. iteration 44: trace = 6.740464319466954 (0.00019961% change) linmin: converged after 5 iterations. iteration 45: trace = 6.740454926847282 (0.000139347% change) linmin: converged after 3 iterations. iteration 46: trace = 6.74044291288695 (0.000178237% change) linmin: converged after 3 iterations. iteration 47: trace = 6.740433216692908 (0.000143851% change) linmin: converged after 3 iterations. iteration 48: trace = 6.740427219839784 (8.89684e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 6.740422386085969 (7.17129e-05% change) linmin: converged after 3 iterations. iteration 50: trace = 6.740416728957716 (8.39284e-05% change) linmin: converged after 4 iterations. iteration 51: trace = 6.740414142456438 (3.8373e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 6.740411995251492 (3.18557e-05% change) linmin: converged after 4 iterations. iteration 53: trace = 6.740409269460818 (4.04395e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 6.740406804016743 (3.65771e-05% change) linmin: converged after 4 iterations. iteration 55: trace = 6.740405527569202 (1.89372e-05% change) linmin: converged after 4 iterations. iteration 56: trace = 6.74040426714801 (1.86995e-05% change) linmin: converged after 4 iterations. iteration 57: trace = 6.740403728292953 (7.9944e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.740403437888365 (4.30842e-06% change) linmin: converged after 13 iterations. iteration 59: trace = 6.74040294378327 (7.3305e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.740402141485299 (1.19028e-05% change) linmin: converged after 3 iterations. iteration 61: trace = 6.740401773994543 (5.45206e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.740401383665266 (5.79089e-06% change) linmin: converged after 3 iterations. iteration 63: trace = 6.74040121327281 (2.52793e-06% change) linmin: converged after 2 iterations. iteration 64: trace = 6.740401083164177 (1.93028e-06% change) linmin: converged after 3 iterations. iteration 65: trace = 6.74040096079739 (1.81542e-06% change) linmin: converged after 16 iterations. iteration 66: trace = 6.740400775688362 (2.74626e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 6.74040070800987 (1.00407e-06% change) linmin: converged after 2 iterations. iteration 68: trace = 6.74040066003779 (7.1171e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 6.740400622538507 (5.56336e-07% change) resetting CG direction... linmin: converged after 19 iterations. iteration 70: trace = 6.740400603093399 (2.88486e-07% change) linmin: converged after 3 iterations. iteration 71: trace = 6.740400587210903 (2.35631e-07% change) linmin: converged after 22 iterations. iteration 72: trace = 6.740400563939513 (3.45252e-07% change) linmin: converged after 2 iterations. iteration 73: trace = 6.740400533795508 (4.47214e-07% change) linmin: converged after 5 iterations. iteration 74: trace = 6.740400521503503 (1.82363e-07% change) linmin: converged after 2 iterations. iteration 75: trace = 6.740400502320046 (2.84604e-07% change) linmin: converged after 6 iterations. iteration 76: trace = 6.740400485752043 (2.45801e-07% change) linmin: converged after 5 iterations. iteration 77: trace = 6.740400468312115 (2.58737e-07% change) linmin: converged after 4 iterations. iteration 78: trace = 6.7404004510257 (2.5646e-07% change) linmin: converged after 9 iterations. iteration 79: trace = 6.740400430659067 (3.02158e-07% change) linmin: converged after 16 iterations. iteration 80: trace = 6.740400419592456 (1.64183e-07% change) linmin: converged after 4 iterations. iteration 81: trace = 6.740400411505672 (1.19975e-07% change) linmin: converged after 2 iterations. iteration 82: trace = 6.740400400768737 (1.59292e-07% change) linmin: converged after 6 iterations. iteration 83: trace = 6.740400386870046 (2.062e-07% change) linmin: converged after 4 iterations. iteration 84: trace = 6.740400376243886 (1.57649e-07% change) linmin: converged after 6 iterations. iteration 85: trace = 6.740400359186395 (2.53063e-07% change) linmin: converged after 11 iterations. iteration 86: trace = 6.740400345746469 (1.99394e-07% change) linmin: converged after 6 iterations. iteration 87: trace = 6.740400338461716 (1.08076e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 6.740400333642108 (7.15033e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 6.740400326302938 (1.08883e-07% change) linmin: converged after 4 iterations. iteration 90: trace = 6.740400316339502 (1.47817e-07% change) linmin: converged after 9 iterations. iteration 91: trace = 6.740400308685426 (1.13555e-07% change) linmin: converged after 14 iterations. iteration 92: trace = 6.740400300059272 (1.27977e-07% change) linmin: converged after 11 iterations. iteration 93: trace = 6.740400294140932 (8.7804e-08% change) linmin: converged after 4 iterations. iteration 94: trace = 6.740400290919977 (4.77858e-08% change) linmin: converged after 4 iterations. iteration 95: trace = 6.740400289506387 (2.09719e-08% change) large trace change predicted (5.29406e-08%) linmin: converged after 4 iterations. iteration 96: trace = 6.740400285937952 (5.2941e-08% change) linmin: converged after 3 iterations. iteration 97: trace = 6.74040028346374 (3.67072e-08% change) linmin: converged after 4 iterations. iteration 98: trace = 6.740400281351036 (3.13439e-08% change) linmin: converged after 6 iterations. iteration 99: trace = 6.740400280283678 (1.58352e-08% change) linmin: converged after 6 iterations. iteration 100: trace = 6.740400279633393 (9.64757e-09% change) linmin: converged after 7 iterations. iteration 101: trace = 6.740400278715743 (1.36142e-08% change) linmin: converged after 10 iterations. iteration 102: trace = 6.740400277848439 (1.28673e-08% change) linmin: converged after 4 iterations. iteration 103: trace = 6.740400276932838 (1.35838e-08% change) linmin: converged after 5 iterations. iteration 104: trace = 6.740400276406879 (7.80308e-09% change) linmin: converged after 4 iterations. iteration 105: trace = 6.74040027575835 (9.62152e-09% change) linmin: converged after 13 iterations. iteration 106: trace = 6.740400275502386 (3.79746e-09% change) linmin: converged after 5 iterations. iteration 107: trace = 6.740400275288419 (3.17439e-09% change) linmin: converged after 5 iterations. iteration 108: trace = 6.740400275009806 (4.13347e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 6.74040027484778 (2.4038e-09% change) linmin: converged after 7 iterations. iteration 110: trace = 6.740400274711278 (2.02514e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 6.740400274636493 (1.1095e-09% change) linmin: converged after 11 iterations. iteration 112: trace = 6.740400274539954 (1.43224e-09% change) linmin: converged after 15 iterations. iteration 113: trace = 6.740400274496207 (6.4903e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 6.740400274458317 (5.62141e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 6.740400274397384 (9.03991e-10% change) linmin: converged after 25 iterations. iteration 116: trace = 6.740400274346948 (7.48266e-10% change) linmin: converged after 12 iterations. iteration 117: trace = 6.740400274324065 (3.39491e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 6.74040027430013 (3.55092e-10% change) linmin: converged after 9 iterations. iteration 119: trace = 6.740400274274728 (3.76874e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 6.74040027425942 (2.27105e-10% change) linmin: converged after 2 iterations. iteration 121: trace = 6.740400274247594 (1.75451e-10% change) linmin: converged after 4 iterations. iteration 122: trace = 6.740400274235819 (1.74687e-10% change) linmin: converged after 4 iterations. iteration 123: trace = 6.740400274229878 (8.81405e-11% change) Finished solving for bands 1 to 8 after 123 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.387171, 0.548256, 0.676549, 0.800668, 0.989113, 1.05673, 1.21445, 1.27327 elapsed time for k point: 2.0683209896087646 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.787868982585702 (0.213564% change) linmin: converged after 3 iterations. iteration 2: trace = 6.776022102445945 (0.174683% change) linmin: converged after 3 iterations. iteration 3: trace = 6.769929067794099 (0.089961% change) linmin: converged after 4 iterations. iteration 4: trace = 6.767085860863346 (0.0420064% change) linmin: converged after 4 iterations. iteration 5: trace = 6.765298905720836 (0.0264101% change) linmin: converged after 3 iterations. iteration 6: trace = 6.763340701812342 (0.028949% change) linmin: converged after 4 iterations. iteration 7: trace = 6.760043708296257 (0.0487599% change) linmin: converged after 4 iterations. iteration 8: trace = 6.75762710591659 (0.0357547% change) linmin: converged after 4 iterations. iteration 9: trace = 6.754119977523626 (0.0519123% change) linmin: converged after 4 iterations. iteration 10: trace = 6.751635253965537 (0.036795% change) linmin: converged after 4 iterations. iteration 11: trace = 6.749275921972778 (0.0349507% change) linmin: converged after 4 iterations. iteration 12: trace = 6.748514050818945 (0.0112888% change) large trace change predicted (0.034203%) linmin: converged after 3 iterations. iteration 13: trace = 6.746182805582969 (0.0345505% change) linmin: converged after 3 iterations. iteration 14: trace = 6.744301302384428 (0.0278938% change) linmin: converged after 3 iterations. iteration 15: trace = 6.742003649005032 (0.0340739% change) linmin: converged after 3 iterations. iteration 16: trace = 6.740281277575933 (0.0255501% change) linmin: converged after 3 iterations. iteration 17: trace = 6.739215853999886 (0.0158081% change) linmin: converged after 4 iterations. iteration 18: trace = 6.738862277568137 (0.00524669% change) linmin: converged after 3 iterations. iteration 19: trace = 6.738332351690131 (0.00786404% change) linmin: converged after 3 iterations. iteration 20: trace = 6.737625968281172 (0.0104836% change) linmin: converged after 3 iterations. iteration 21: trace = 6.737211471501427 (0.00615216% change) linmin: converged after 3 iterations. iteration 22: trace = 6.736596689897409 (0.00912558% change) linmin: converged after 3 iterations. iteration 23: trace = 6.736116012473203 (0.00713557% change) linmin: converged after 3 iterations. iteration 24: trace = 6.735569706445113 (0.00811043% change) linmin: converged after 3 iterations. iteration 25: trace = 6.735310735670724 (0.0038449% change) linmin: converged after 3 iterations. iteration 26: trace = 6.734879757923264 (0.00639899% change) linmin: converged after 4 iterations. iteration 27: trace = 6.734393389813635 (0.00722189% change) linmin: converged after 3 iterations. iteration 28: trace = 6.733901809673776 (0.00729981% change) linmin: converged after 3 iterations. iteration 29: trace = 6.733209883726296 (0.0102758% change) linmin: converged after 4 iterations. iteration 30: trace = 6.732349644971268 (0.0127769% change) linmin: converged after 4 iterations. iteration 31: trace = 6.731921727298631 (0.00635634% change) linmin: converged after 3 iterations. iteration 32: trace = 6.731461141398787 (0.00684205% change) linmin: converged after 3 iterations. iteration 33: trace = 6.731024235037896 (0.00649072% change) linmin: converged after 3 iterations. iteration 34: trace = 6.730758277925766 (0.00395129% change) linmin: converged after 3 iterations. iteration 35: trace = 6.730487878229606 (0.00401745% change) linmin: converged after 3 iterations. iteration 36: trace = 6.730155605935211 (0.00493695% change) linmin: converged after 3 iterations. iteration 37: trace = 6.729721291616967 (0.00645347% change) linmin: converged after 4 iterations. iteration 38: trace = 6.729527931629347 (0.00287327% change) linmin: converged after 3 iterations. iteration 39: trace = 6.729325300094041 (0.00301113% change) linmin: converged after 4 iterations. iteration 40: trace = 6.729238810517297 (0.00128527% change) linmin: converged after 3 iterations. iteration 41: trace = 6.729183777216625 (0.000817827% change) linmin: converged after 4 iterations. iteration 42: trace = 6.729120106771321 (0.000946188% change) linmin: converged after 5 iterations. iteration 43: trace = 6.729017037168155 (0.00153171% change) linmin: converged after 3 iterations. iteration 44: trace = 6.72896230528649 (0.000813374% change) linmin: converged after 3 iterations. iteration 45: trace = 6.728906720813603 (0.000826052% change) linmin: converged after 3 iterations. iteration 46: trace = 6.728867483935334 (0.000583111% change) linmin: converged after 3 iterations. iteration 47: trace = 6.728848429989403 (0.000283168% change) linmin: converged after 3 iterations. iteration 48: trace = 6.72883959271949 (0.000131334% change) linmin: converged after 4 iterations. iteration 49: trace = 6.728828034584385 (0.00017177% change) linmin: converged after 4 iterations. iteration 50: trace = 6.728815695335598 (0.000183379% change) linmin: converged after 5 iterations. iteration 51: trace = 6.728808305036127 (0.000109831% change) linmin: converged after 5 iterations. iteration 52: trace = 6.728797308098133 (0.000163431% change) linmin: converged after 4 iterations. iteration 53: trace = 6.728790320988776 (0.000103839% change) linmin: converged after 4 iterations. iteration 54: trace = 6.728785441865305 (7.25112e-05% change) linmin: converged after 10 iterations. iteration 55: trace = 6.728781933821931 (5.21349e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.728777420714483 (6.70717e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.728774466407703 (4.39056e-05% change) linmin: converged after 7 iterations. iteration 58: trace = 6.728770671034816 (5.64051e-05% change) linmin: converged after 4 iterations. iteration 59: trace = 6.728766382457217 (6.3735e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 6.728759702527293 (9.92743e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 6.72875600800116 (5.49065e-05% change) linmin: converged after 5 iterations. iteration 62: trace = 6.728751329676816 (6.95274e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.72874796354433 (5.00261e-05% change) linmin: converged after 5 iterations. iteration 64: trace = 6.72874608246236 (2.79559e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 6.728743717350888 (3.51494e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 6.728741218971988 (3.713e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 6.728737886536016 (4.95254e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 6.728735364670577 (3.7479e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 6.728731337821549 (5.98456e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.728730344297306 (1.47654e-05% change) linmin: converged after 3 iterations. iteration 71: trace = 6.728729607561573 (1.09491e-05% change) linmin: converged after 5 iterations. iteration 72: trace = 6.728728722776311 (1.31494e-05% change) linmin: converged after 4 iterations. iteration 73: trace = 6.728727747959792 (1.44874e-05% change) linmin: converged after 3 iterations. iteration 74: trace = 6.728727117067694 (9.3761e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 6.728726357583863 (1.12872e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 6.728725545856612 (1.20636e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 6.728725087380411 (6.81372e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.728724366185729 (1.07181e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 6.728723587092546 (1.15786e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 6.728722669785482 (1.36327e-05% change) linmin: converged after 7 iterations. iteration 81: trace = 6.728722087464782 (8.65425e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 6.728721146482222 (1.39846e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 6.728720479224346 (9.91656e-06% change) linmin: converged after 3 iterations. iteration 84: trace = 6.72872002096957 (6.81043e-06% change) linmin: converged after 18 iterations. iteration 85: trace = 6.728719587093543 (6.44812e-06% change) linmin: converged after 4 iterations. iteration 86: trace = 6.728719151681675 (6.47095e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 6.728718339456695 (1.2071e-05% change) linmin: converged after 3 iterations. iteration 88: trace = 6.728717407432983 (1.38514e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 6.72871703270685 (5.56906e-06% change) linmin: converged after 4 iterations. iteration 90: trace = 6.728716493558839 (8.01264e-06% change) linmin: converged after 4 iterations. iteration 91: trace = 6.728716172998809 (4.76406e-06% change) linmin: converged after 5 iterations. iteration 92: trace = 6.728715871743695 (4.47716e-06% change) linmin: converged after 5 iterations. iteration 93: trace = 6.728715607123789 (3.9327e-06% change) large trace change predicted (1.1214e-05%) linmin: converged after 4 iterations. iteration 94: trace = 6.728714852419074 (1.12162e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 6.728714143178856 (1.05405e-05% change) linmin: converged after 2 iterations. iteration 96: trace = 6.728713790554846 (5.24059e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 6.728713564564236 (3.3586e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 6.72871337473274 (2.82122e-06% change) linmin: converged after 2 iterations. iteration 99: trace = 6.728713158212984 (3.21785e-06% change) linmin: converged after 7 iterations. iteration 100: trace = 6.72871303419917 (1.84305e-06% change) large trace change predicted (4.57544e-06%) linmin: converged after 9 iterations. iteration 101: trace = 6.728712726331796 (4.57543e-06% change) linmin: converged after 3 iterations. iteration 102: trace = 6.728712545549363 (2.68673e-06% change) linmin: converged after 4 iterations. iteration 103: trace = 6.728712456632556 (1.32145e-06% change) linmin: converged after 4 iterations. iteration 104: trace = 6.728712395871947 (9.03005e-07% change) linmin: converged after 22 iterations. iteration 105: trace = 6.728712337014412 (8.74722e-07% change) linmin: converged after 2 iterations. iteration 106: trace = 6.728712235890788 (1.50287e-06% change) linmin: converged after 3 iterations. iteration 107: trace = 6.728712176922074 (8.76374e-07% change) linmin: converged after 2 iterations. iteration 108: trace = 6.728712080423804 (1.43413e-06% change) linmin: converged after 2 iterations. iteration 109: trace = 6.728712039614756 (6.06491e-07% change) linmin: converged after 2 iterations. iteration 110: trace = 6.728712017427823 (3.29735e-07% change) linmin: converged after 4 iterations. iteration 111: trace = 6.728711999648127 (2.64236e-07% change) linmin: converged after 17 iterations. iteration 112: trace = 6.728711988225786 (1.69755e-07% change) large trace change predicted (5.34906e-07%) linmin: converged after 14 iterations. iteration 113: trace = 6.728711952234852 (5.34886e-07% change) linmin: converged after 5 iterations. iteration 114: trace = 6.728711934050721 (2.70247e-07% change) linmin: converged after 5 iterations. iteration 115: trace = 6.728711913975151 (2.98357e-07% change) linmin: converged after 7 iterations. iteration 116: trace = 6.728711900913255 (1.94122e-07% change) linmin: converged after 6 iterations. iteration 117: trace = 6.72871189199781 (1.32499e-07% change) linmin: converged after 6 iterations. iteration 118: trace = 6.728711886261879 (8.52456e-08% change) linmin: converged after 4 iterations. iteration 119: trace = 6.728711875142196 (1.65257e-07% change) linmin: converged after 16 iterations. iteration 120: trace = 6.728711860785588 (2.13363e-07% change) linmin: converged after 4 iterations. iteration 121: trace = 6.728711851966654 (1.31064e-07% change) linmin: converged after 4 iterations. iteration 122: trace = 6.728711846028657 (8.82487e-08% change) linmin: converged after 4 iterations. iteration 123: trace = 6.728711840072559 (8.85177e-08% change) linmin: converged after 9 iterations. iteration 124: trace = 6.728711834421478 (8.39846e-08% change) linmin: converged after 5 iterations. iteration 125: trace = 6.728711831182802 (4.81322e-08% change) large trace change predicted (1.16525e-07%) linmin: converged after 7 iterations. iteration 126: trace = 6.728711823342267 (1.16524e-07% change) linmin: converged after 11 iterations. iteration 127: trace = 6.728711817562793 (8.58927e-08% change) linmin: converged after 2 iterations. iteration 128: trace = 6.728711814479829 (4.5818e-08% change) linmin: converged after 4 iterations. iteration 129: trace = 6.728711812131846 (3.4895e-08% change) large trace change predicted (8.43376e-08%) linmin: converged after 7 iterations. iteration 130: trace = 6.72871180645707 (8.43367e-08% change) large trace change predicted (2.29934e-07%) linmin: converged after 6 iterations. iteration 131: trace = 6.728711790986386 (2.2992e-07% change) linmin: converged after 5 iterations. iteration 132: trace = 6.728711774737919 (2.4148e-07% change) linmin: converged after 5 iterations. iteration 133: trace = 6.728711761742745 (1.9313e-07% change) linmin: converged after 5 iterations. iteration 134: trace = 6.728711750582694 (1.65857e-07% change) large trace change predicted (4.63052e-07%) linmin: converged after 6 iterations. iteration 135: trace = 6.728711719425955 (4.63042e-07% change) large trace change predicted (9.33184e-07%) linmin: converged after 8 iterations. iteration 136: trace = 6.728711656632179 (9.33221e-07% change) large trace change predicted (2.06936e-06%) linmin: converged after 5 iterations. iteration 137: trace = 6.728711517360343 (2.06981e-06% change) near maximum in trace linmin: converged after 11 iterations. iteration 138: trace = 6.728453682247238 (0.00383194% change) linmin: converged after 7 iterations. iteration 139: trace = 6.728452851604652 (1.23452e-05% change) resetting CG direction... large trace change predicted (0.0189049%) linmin: converged after 4 iterations. iteration 140: trace = 6.727182371279831 (0.018884% change) linmin: converged after 3 iterations. iteration 141: trace = 6.726307068528188 (0.0130123% change) linmin: converged after 6 iterations. iteration 142: trace = 6.725624849352022 (0.0101431% change) linmin: converged after 4 iterations. iteration 143: trace = 6.724666693548416 (0.0142474% change) linmin: converged after 3 iterations. iteration 144: trace = 6.724097326918089 (0.0084672% change) large trace change predicted (0.0170474%) linmin: converged after 3 iterations. iteration 145: trace = 6.722945243249998 (0.0171351% change) linmin: converged after 4 iterations. iteration 146: trace = 6.721453862618803 (0.0221859% change) linmin: converged after 3 iterations. iteration 147: trace = 6.720316358960333 (0.0169249% change) linmin: converged after 4 iterations. iteration 148: trace = 6.719957765755263 (0.0053361% change) linmin: converged after 3 iterations. iteration 149: trace = 6.719474522300694 (0.00719143% change) linmin: converged after 3 iterations. iteration 150: trace = 6.718956468733012 (0.00771003% change) linmin: converged after 4 iterations. iteration 151: trace = 6.718494628399407 (0.00687393% change) linmin: converged after 4 iterations. iteration 152: trace = 6.717693146288157 (0.0119302% change) linmin: converged after 3 iterations. iteration 153: trace = 6.717009824162595 (0.0101725% change) linmin: converged after 4 iterations. iteration 154: trace = 6.716242743664416 (0.0114206% change) linmin: converged after 4 iterations. iteration 155: trace = 6.715887266830695 (0.00529293% change) large trace change predicted (0.0124035%) linmin: converged after 4 iterations. iteration 156: trace = 6.71505877460325 (0.0123371% change) linmin: converged after 4 iterations. iteration 157: trace = 6.714214731234136 (0.0125702% change) linmin: converged after 3 iterations. iteration 158: trace = 6.713464211000815 (0.0111787% change) large trace change predicted (0.0270562%) linmin: converged after 4 iterations. iteration 159: trace = 6.711656878410124 (0.0269246% change) linmin: converged after 7 iterations. iteration 160: trace = 6.709640121917976 (0.0300531% change) linmin: converged after 3 iterations. iteration 161: trace = 6.707635948751113 (0.0298745% change) linmin: converged after 4 iterations. iteration 162: trace = 6.70632322357895 (0.0195725% change) linmin: converged after 4 iterations. iteration 163: trace = 6.704042965673438 (0.0340074% change) linmin: converged after 4 iterations. iteration 164: trace = 6.702562394398335 (0.0220872% change) large trace change predicted (0.0536973%) linmin: converged after 5 iterations. iteration 165: trace = 6.699083360781742 (0.0519195% change) linmin: converged after 6 iterations. iteration 166: trace = 6.695431529118583 (0.0545273% change) linmin: converged after 6 iterations. iteration 167: trace = 6.691489103185845 (0.0588997% change) linmin: converged after 6 iterations. iteration 168: trace = 6.687847025026398 (0.0544433% change) linmin: converged after 4 iterations. iteration 169: trace = 6.685740337937532 (0.0315052% change) linmin: converged after 3 iterations. iteration 170: trace = 6.684491987143305 (0.0186736% change) linmin: converged after 4 iterations. iteration 171: trace = 6.683037947912261 (0.0217548% change) linmin: converged after 3 iterations. iteration 172: trace = 6.681930076396474 (0.0165787% change) linmin: converged after 3 iterations. iteration 173: trace = 6.681109972670144 (0.0122742% change) linmin: converged after 4 iterations. iteration 174: trace = 6.679836605574239 (0.019061% change) linmin: converged after 4 iterations. iteration 175: trace = 6.678315419715696 (0.0227754% change) linmin: converged after 4 iterations. iteration 176: trace = 6.676965324660001 (0.0202181% change) linmin: converged after 4 iterations. iteration 177: trace = 6.675226347999176 (0.0260478% change) linmin: converged after 4 iterations. iteration 178: trace = 6.673268155133322 (0.0293395% change) linmin: converged after 4 iterations. iteration 179: trace = 6.671393711488459 (0.0280928% change) linmin: converged after 4 iterations. iteration 180: trace = 6.669698102085566 (0.0254193% change) linmin: converged after 4 iterations. iteration 181: trace = 6.668528039583177 (0.0175445% change) linmin: converged after 4 iterations. iteration 182: trace = 6.667521416178587 (0.0150963% change) linmin: converged after 4 iterations. iteration 183: trace = 6.666379737171886 (0.0171245% change) linmin: converged after 4 iterations. iteration 184: trace = 6.665597869061512 (0.0117292% change) linmin: converged after 3 iterations. iteration 185: trace = 6.665144271409727 (0.00680529% change) linmin: converged after 4 iterations. iteration 186: trace = 6.66462595033938 (0.00777689% change) linmin: converged after 3 iterations. iteration 187: trace = 6.664025889928164 (0.00900407% change) linmin: converged after 8 iterations. iteration 188: trace = 6.663583798133007 (0.00663422% change) linmin: converged after 3 iterations. iteration 189: trace = 6.663166778375061 (0.00625839% change) linmin: converged after 4 iterations. iteration 190: trace = 6.662596945486046 (0.00855235% change) linmin: converged after 4 iterations. iteration 191: trace = 6.661885323118601 (0.0106814% change) linmin: converged after 4 iterations. iteration 192: trace = 6.661033482791968 (0.0127876% change) linmin: converged after 4 iterations. iteration 193: trace = 6.660181091392136 (0.0127975% change) linmin: converged after 3 iterations. iteration 194: trace = 6.659586277219317 (0.0089313% change) linmin: converged after 3 iterations. iteration 195: trace = 6.659095169933031 (0.00737471% change) linmin: converged after 3 iterations. iteration 196: trace = 6.658526253027723 (0.00854382% change) linmin: converged after 3 iterations. iteration 197: trace = 6.658087452132368 (0.00659028% change) linmin: converged after 3 iterations. iteration 198: trace = 6.65784328125599 (0.00366735% change) linmin: converged after 3 iterations. iteration 199: trace = 6.657612681376067 (0.00346364% change) linmin: converged after 3 iterations. iteration 200: trace = 6.657302405248575 (0.00466058% change) linmin: converged after 3 iterations. iteration 201: trace = 6.657008891177028 (0.004409% change) linmin: converged after 3 iterations. iteration 202: trace = 6.656742460421794 (0.00400234% change) linmin: converged after 3 iterations. iteration 203: trace = 6.656386742061862 (0.00534387% change) linmin: converged after 3 iterations. iteration 204: trace = 6.655951387097542 (0.00654062% change) linmin: converged after 4 iterations. iteration 205: trace = 6.655533323232467 (0.00628125% change) linmin: converged after 3 iterations. iteration 206: trace = 6.655124971031917 (0.00613572% change) linmin: converged after 3 iterations. iteration 207: trace = 6.654790831895426 (0.00502091% change) linmin: converged after 3 iterations. iteration 208: trace = 6.654537253647869 (0.00381053% change) linmin: converged after 6 iterations. iteration 209: trace = 6.654248502375498 (0.00433926% change) resetting CG direction... large trace change predicted (0.00922516%) linmin: converged after 3 iterations. iteration 210: trace = 6.653630526670887 (0.00928737% change) linmin: converged after 4 iterations. iteration 211: trace = 6.652884312697259 (0.0112158% change) linmin: converged after 4 iterations. iteration 212: trace = 6.651930725514286 (0.0143345% change) linmin: converged after 4 iterations. iteration 213: trace = 6.651234762033309 (0.0104631% change) linmin: converged after 3 iterations. iteration 214: trace = 6.650773093256932 (0.00694134% change) large trace change predicted (0.019404%) linmin: converged after 3 iterations. iteration 215: trace = 6.649472226875178 (0.0195615% change) linmin: converged after 3 iterations. iteration 216: trace = 6.648433272397196 (0.0156258% change) linmin: converged after 4 iterations. iteration 217: trace = 6.647919743085738 (0.00772436% change) linmin: converged after 4 iterations. iteration 218: trace = 6.647563559578768 (0.00535796% change) linmin: converged after 3 iterations. iteration 219: trace = 6.647030084107437 (0.00802545% change) linmin: converged after 4 iterations. iteration 220: trace = 6.646184425485905 (0.0127232% change) linmin: converged after 4 iterations. iteration 221: trace = 6.645448245729969 (0.0110773% change) linmin: converged after 4 iterations. iteration 222: trace = 6.644384322201303 (0.0160111% change) linmin: converged after 4 iterations. iteration 223: trace = 6.643924055761964 (0.00692739% change) linmin: converged after 3 iterations. iteration 224: trace = 6.643634876618793 (0.00435263% change) linmin: converged after 5 iterations. iteration 225: trace = 6.643318839066103 (0.00475711% change) large trace change predicted (0.0102206%) linmin: converged after 3 iterations. iteration 226: trace = 6.642638140980983 (0.0102469% change) linmin: converged after 3 iterations. iteration 227: trace = 6.642224165305038 (0.00623229% change) linmin: converged after 4 iterations. iteration 228: trace = 6.641591078847276 (0.0095317% change) linmin: converged after 4 iterations. iteration 229: trace = 6.641041345077111 (0.00827748% change) linmin: converged after 3 iterations. iteration 230: trace = 6.640643087846597 (0.00599709% change) linmin: converged after 4 iterations. iteration 231: trace = 6.640409882016332 (0.00351186% change) linmin: converged after 3 iterations. iteration 232: trace = 6.64010160435678 (0.00464256% change) linmin: converged after 4 iterations. iteration 233: trace = 6.63979953958313 (0.0045492% change) linmin: converged after 4 iterations. iteration 234: trace = 6.639545147563938 (0.00383139% change) linmin: converged after 4 iterations. iteration 235: trace = 6.6392921443204 (0.00381062% change) linmin: converged after 4 iterations. iteration 236: trace = 6.639195842861463 (0.00145049% change) linmin: converged after 5 iterations. iteration 237: trace = 6.639135840307095 (0.000903766% change) linmin: converged after 4 iterations. iteration 238: trace = 6.639060634241064 (0.00113278% change) linmin: converged after 5 iterations. iteration 239: trace = 6.638997241997604 (0.000954842% change) linmin: converged after 4 iterations. iteration 240: trace = 6.638958829745031 (0.000578587% change) linmin: converged after 3 iterations. iteration 241: trace = 6.63888907514511 (0.00105069% change) linmin: converged after 7 iterations. iteration 242: trace = 6.638838502072965 (0.000761773% change) linmin: converged after 6 iterations. iteration 243: trace = 6.63881270028288 (0.00038865% change) linmin: converged after 4 iterations. iteration 244: trace = 6.638798723087265 (0.000210538% change) linmin: converged after 7 iterations. iteration 245: trace = 6.638786899349858 (0.000178101% change) linmin: converged after 3 iterations. iteration 246: trace = 6.638781976772692 (7.41488e-05% change) large trace change predicted (0.000176015%) linmin: converged after 4 iterations. iteration 247: trace = 6.638770294385886 (0.000175972% change) linmin: converged after 5 iterations. iteration 248: trace = 6.638761598460509 (0.000130987% change) linmin: converged after 3 iterations. iteration 249: trace = 6.638755652947235 (8.95576e-05% change) linmin: converged after 4 iterations. iteration 250: trace = 6.638751293270376 (6.56701e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 6.63874762702921 (5.52249e-05% change) linmin: converged after 3 iterations. iteration 252: trace = 6.638746241462078 (2.08709e-05% change) linmin: converged after 4 iterations. iteration 253: trace = 6.638744299486334 (2.92522e-05% change) linmin: converged after 3 iterations. iteration 254: trace = 6.638742466991935 (2.7603e-05% change) linmin: converged after 4 iterations. iteration 255: trace = 6.638740748795451 (2.58814e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 6.638739174455441 (2.37144e-05% change) linmin: converged after 14 iterations. iteration 257: trace = 6.638738077228231 (1.65276e-05% change) linmin: converged after 5 iterations. iteration 258: trace = 6.638737547112621 (7.98519e-06% change) linmin: converged after 5 iterations. iteration 259: trace = 6.638737083185308 (6.98819e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 6.638736554998273 (7.95614e-06% change) linmin: converged after 4 iterations. iteration 261: trace = 6.638736054205813 (7.54349e-06% change) linmin: converged after 4 iterations. iteration 262: trace = 6.638735584162155 (7.08032e-06% change) linmin: converged after 9 iterations. iteration 263: trace = 6.638735114233947 (7.07858e-06% change) linmin: converged after 4 iterations. iteration 264: trace = 6.638734929977832 (2.77547e-06% change) linmin: converged after 17 iterations. iteration 265: trace = 6.638734793904002 (2.0497e-06% change) linmin: converged after 5 iterations. iteration 266: trace = 6.638734638540588 (2.34026e-06% change) linmin: converged after 6 iterations. iteration 267: trace = 6.638734541808133 (1.45709e-06% change) linmin: converged after 10 iterations. iteration 268: trace = 6.638734388824039 (2.30442e-06% change) linmin: converged after 4 iterations. iteration 269: trace = 6.638734237834091 (2.27438e-06% change) linmin: converged after 5 iterations. iteration 270: trace = 6.638734140441263 (1.46704e-06% change) linmin: converged after 6 iterations. iteration 271: trace = 6.638734095376947 (6.78809e-07% change) linmin: converged after 5 iterations. iteration 272: trace = 6.638734046148207 (7.41538e-07% change) linmin: converged after 8 iterations. iteration 273: trace = 6.638734010110515 (5.4284e-07% change) linmin: converged after 4 iterations. iteration 274: trace = 6.638733956169078 (8.12526e-07% change) linmin: converged after 4 iterations. iteration 275: trace = 6.638733888635495 (1.01727e-06% change) linmin: converged after 6 iterations. iteration 276: trace = 6.638733824057637 (9.72744e-07% change) linmin: converged after 4 iterations. iteration 277: trace = 6.638733794497214 (4.45272e-07% change) linmin: converged after 3 iterations. iteration 278: trace = 6.638733761206666 (5.01459e-07% change) linmin: converged after 4 iterations. iteration 279: trace = 6.638733740089008 (3.18098e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 280: trace = 6.638733730118876 (1.50181e-07% change) linmin: converged after 4 iterations. iteration 281: trace = 6.6387337141208 (2.40981e-07% change) linmin: converged after 4 iterations. iteration 282: trace = 6.638733697202571 (2.54841e-07% change) linmin: converged after 27 iterations. iteration 283: trace = 6.638733680567134 (2.50581e-07% change) linmin: converged after 5 iterations. iteration 284: trace = 6.638733664088843 (2.48214e-07% change) linmin: converged after 4 iterations. iteration 285: trace = 6.638733646505984 (2.64853e-07% change) linmin: converged after 5 iterations. iteration 286: trace = 6.638733636891792 (1.4482e-07% change) linmin: converged after 4 iterations. iteration 287: trace = 6.638733627267385 (1.44974e-07% change) linmin: converged after 5 iterations. iteration 288: trace = 6.638733611457241 (2.3815e-07% change) linmin: converged after 5 iterations. iteration 289: trace = 6.638733589360162 (3.32851e-07% change) linmin: converged after 5 iterations. iteration 290: trace = 6.638733570841927 (2.78942e-07% change) linmin: converged after 4 iterations. iteration 291: trace = 6.638733556833693 (2.11008e-07% change) linmin: converged after 4 iterations. iteration 292: trace = 6.638733542214055 (2.20217e-07% change) linmin: converged after 7 iterations. iteration 293: trace = 6.638733536735833 (8.25191e-08% change) linmin: converged after 4 iterations. iteration 294: trace = 6.638733531004587 (8.63304e-08% change) linmin: converged after 4 iterations. iteration 295: trace = 6.638733522903673 (1.22025e-07% change) linmin: converged after 7 iterations. iteration 296: trace = 6.638733510486973 (1.87034e-07% change) linmin: converged after 7 iterations. iteration 297: trace = 6.638733500428659 (1.5151e-07% change) linmin: converged after 10 iterations. iteration 298: trace = 6.638733495903145 (6.81683e-08% change) linmin: converged after 4 iterations. iteration 299: trace = 6.638733491067802 (7.28353e-08% change) linmin: converged after 18 iterations. iteration 300: trace = 6.638733487040016 (6.0671e-08% change) linmin: converged after 4 iterations. iteration 301: trace = 6.638733480452061 (9.92351e-08% change) linmin: converged after 8 iterations. iteration 302: trace = 6.638733476325877 (6.21532e-08% change) linmin: converged after 6 iterations. iteration 303: trace = 6.638733469808858 (9.81666e-08% change) linmin: converged after 2 iterations. iteration 304: trace = 6.638733466845943 (4.46307e-08% change) linmin: converged after 4 iterations. iteration 305: trace = 6.638733465784725 (1.59853e-08% change) linmin: converged after 5 iterations. iteration 306: trace = 6.638733464597258 (1.7887e-08% change) linmin: converged after 7 iterations. iteration 307: trace = 6.638733462719788 (2.82805e-08% change) linmin: converged after 4 iterations. iteration 308: trace = 6.638733460762559 (2.9482e-08% change) linmin: converged after 5 iterations. iteration 309: trace = 6.638733459933839 (1.24831e-08% change) linmin: converged after 10 iterations. iteration 310: trace = 6.638733458809645 (1.69339e-08% change) linmin: converged after 4 iterations. iteration 311: trace = 6.638733458140321 (1.00821e-08% change) linmin: converged after 4 iterations. iteration 312: trace = 6.638733457757295 (5.76957e-09% change) linmin: converged after 5 iterations. iteration 313: trace = 6.638733457294702 (6.9681e-09% change) linmin: converged after 4 iterations. iteration 314: trace = 6.638733457035538 (3.90382e-09% change) large trace change predicted (9.40428e-09%) linmin: converged after 4 iterations. iteration 315: trace = 6.638733456411185 (9.4047e-09% change) linmin: converged after 21 iterations. iteration 316: trace = 6.638733456135686 (4.14987e-09% change) linmin: converged after 21 iterations. iteration 317: trace = 6.638733456021402 (1.72147e-09% change) linmin: converged after 4 iterations. iteration 318: trace = 6.638733455924939 (1.45304e-09% change) linmin: converged after 9 iterations. iteration 319: trace = 6.638733455840054 (1.27863e-09% change) linmin: converged after 4 iterations. iteration 320: trace = 6.638733455749787 (1.35969e-09% change) linmin: converged after 12 iterations. iteration 321: trace = 6.638733455704921 (6.75827e-10% change) linmin: converged after 15 iterations. iteration 322: trace = 6.638733455635464 (1.04624e-09% change) linmin: converged after 12 iterations. iteration 323: trace = 6.63873345558721 (7.26853e-10% change) linmin: converged after 9 iterations. iteration 324: trace = 6.63873345555905 (4.24173e-10% change) linmin: converged after 3 iterations. iteration 325: trace = 6.638733455543507 (2.34128e-10% change) linmin: converged after 7 iterations. iteration 326: trace = 6.638733455522884 (3.10654e-10% change) linmin: converged after 2 iterations. iteration 327: trace = 6.638733455511796 (1.6702e-10% change) linmin: converged after 4 iterations. iteration 328: trace = 6.638733455501596 (1.53641e-10% change) linmin: converged after 3 iterations. iteration 329: trace = 6.638733455491008 (1.59488e-10% change) linmin: converged after 5 iterations. iteration 330: trace = 6.638733455483993 (1.05665e-10% change) linmin: converged after 6 iterations. iteration 331: trace = 6.638733455480979 (4.5394e-11% change) Finished solving for bands 1 to 8 after 331 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.24454 elapsed time for k point: 5.590872764587402 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.626057604010983 (0.100232% change) linmin: converged after 4 iterations. iteration 2: trace = 6.6226131409829 (0.0519971% change) linmin: converged after 3 iterations. iteration 3: trace = 6.62067376148533 (0.0292885% change) linmin: converged after 3 iterations. iteration 4: trace = 6.619597701761599 (0.0162543% change) linmin: converged after 3 iterations. iteration 5: trace = 6.61831510033061 (0.0193777% change) linmin: converged after 3 iterations. iteration 6: trace = 6.61721928576244 (0.0165587% change) linmin: converged after 4 iterations. iteration 7: trace = 6.615295861787924 (0.0290712% change) linmin: converged after 3 iterations. iteration 8: trace = 6.614179490564345 (0.016877% change) linmin: converged after 3 iterations. iteration 9: trace = 6.61375081340714 (0.00648139% change) linmin: converged after 4 iterations. iteration 10: trace = 6.613492250814614 (0.00390955% change) linmin: converged after 3 iterations. iteration 11: trace = 6.613100002892438 (0.0059312% change) linmin: converged after 4 iterations. iteration 12: trace = 6.612508487857056 (0.008945% change) linmin: converged after 3 iterations. iteration 13: trace = 6.611911618432536 (0.00902678% change) linmin: converged after 3 iterations. iteration 14: trace = 6.611621981403566 (0.00438063% change) linmin: converged after 5 iterations. iteration 15: trace = 6.611528801722732 (0.00140934% change) linmin: converged after 4 iterations. iteration 16: trace = 6.611478385202834 (0.000762558% change) linmin: converged after 3 iterations. iteration 17: trace = 6.611426402429931 (0.000786253% change) linmin: converged after 3 iterations. iteration 18: trace = 6.611356800411633 (0.00105276% change) linmin: converged after 3 iterations. iteration 19: trace = 6.611309376610332 (0.000717311% change) linmin: converged after 3 iterations. iteration 20: trace = 6.611236278400844 (0.00110566% change) linmin: converged after 3 iterations. iteration 21: trace = 6.611184240696307 (0.000787113% change) linmin: converged after 3 iterations. iteration 22: trace = 6.611157392936202 (0.000406097% change) linmin: converged after 6 iterations. iteration 23: trace = 6.611149766261617 (0.000115361% change) linmin: converged after 4 iterations. iteration 24: trace = 6.61113741913168 (0.000186762% change) linmin: converged after 6 iterations. iteration 25: trace = 6.611117110511223 (0.000307188% change) linmin: converged after 7 iterations. iteration 26: trace = 6.611106890195272 (0.000154593% change) linmin: converged after 4 iterations. iteration 27: trace = 6.611093350545842 (0.000204802% change) linmin: converged after 4 iterations. iteration 28: trace = 6.61108883254998 (6.83396e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.611086832094281 (3.02591e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.611085130238119 (2.57425e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 6.611082646771992 (3.75652e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.61107856387595 (6.17584e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.611077156273629 (2.12916e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 6.611075809334256 (2.0374e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.611075193884831 (9.30937e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 6.611074698718994 (7.48994e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 6.61107440734768 (4.40732e-06% change) large trace change predicted (9.32996e-06%) linmin: converged after 3 iterations. iteration 38: trace = 6.611073790575241 (9.32938e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 6.61107320339959 (8.8817e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 6.611073052676348 (2.27986e-06% change) linmin: converged after 3 iterations. iteration 41: trace = 6.611072941984436 (1.67434e-06% change) linmin: converged after 18 iterations. iteration 42: trace = 6.611072860996538 (1.22503e-06% change) linmin: converged after 4 iterations. iteration 43: trace = 6.611072808573697 (7.92955e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 6.611072776011717 (4.92537e-07% change) linmin: converged after 3 iterations. iteration 45: trace = 6.611072738166698 (5.72449e-07% change) linmin: converged after 25 iterations. iteration 46: trace = 6.611072698877188 (5.94299e-07% change) linmin: converged after 3 iterations. iteration 47: trace = 6.611072683724266 (2.29205e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 6.611072672238647 (1.73733e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 6.611072662758524 (1.43398e-07% change) linmin: converged after 8 iterations. iteration 50: trace = 6.611072656974263 (8.74935e-08% change) linmin: converged after 3 iterations. iteration 51: trace = 6.611072652148707 (7.2992e-08% change) linmin: converged after 4 iterations. iteration 52: trace = 6.611072646471772 (8.58701e-08% change) linmin: converged after 15 iterations. iteration 53: trace = 6.611072641172216 (8.01618e-08% change) linmin: converged after 5 iterations. iteration 54: trace = 6.611072640189264 (1.48683e-08% change) linmin: converged after 13 iterations. iteration 55: trace = 6.611072639602114 (8.88132e-09% change) linmin: converged after 3 iterations. iteration 56: trace = 6.611072639215575 (5.84684e-09% change) linmin: converged after 5 iterations. iteration 57: trace = 6.611072638759791 (6.89425e-09% change) linmin: converged after 18 iterations. iteration 58: trace = 6.611072638476948 (4.27832e-09% change) linmin: converged after 5 iterations. iteration 59: trace = 6.611072638036891 (6.65636e-09% change) linmin: converged after 6 iterations. iteration 60: trace = 6.611072637785821 (3.79772e-09% change) linmin: converged after 9 iterations. iteration 61: trace = 6.611072637654602 (1.98483e-09% change) linmin: converged after 6 iterations. iteration 62: trace = 6.611072637585985 (1.03791e-09% change) linmin: converged after 4 iterations. iteration 63: trace = 6.611072637534644 (7.76593e-10% change) linmin: converged after 6 iterations. iteration 64: trace = 6.611072637495277 (5.95467e-10% change) linmin: converged after 4 iterations. iteration 65: trace = 6.611072637473993 (3.21949e-10% change) large trace change predicted (1.05854e-09%) linmin: converged after 2 iterations. iteration 66: trace = 6.611072637404007 (1.05861e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 6.611072637378244 (3.89701e-10% change) linmin: converged after 3 iterations. iteration 68: trace = 6.611072637366666 (1.75121e-10% change) linmin: converged after 3 iterations. iteration 69: trace = 6.611072637361763 (7.41596e-11% change) Finished solving for bands 1 to 8 after 69 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.416529, 0.630179, 0.63018, 0.701793, 1.05575, 1.05575, 1.17509, 1.24128 elapsed time for k point: 1.1612744331359863 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.696548450365766 (0.194448% change) linmin: converged after 3 iterations. iteration 2: trace = 6.689342465281635 (0.107665% change) linmin: converged after 3 iterations. iteration 3: trace = 6.684968588138355 (0.0654071% change) linmin: converged after 3 iterations. iteration 4: trace = 6.682654417218808 (0.0346235% change) linmin: converged after 3 iterations. iteration 5: trace = 6.680578973186256 (0.031062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.677750730945612 (0.0423442% change) linmin: converged after 3 iterations. iteration 7: trace = 6.674361515301127 (0.0507667% change) linmin: converged after 4 iterations. iteration 8: trace = 6.672549248230683 (0.0271564% change) linmin: converged after 3 iterations. iteration 9: trace = 6.670357073904038 (0.032859% change) linmin: converged after 4 iterations. iteration 10: trace = 6.669034273188554 (0.019833% change) linmin: converged after 3 iterations. iteration 11: trace = 6.667931877258406 (0.0165314% change) linmin: converged after 4 iterations. iteration 12: trace = 6.667446347293696 (0.00728183% change) large trace change predicted (0.0240835%) linmin: converged after 4 iterations. iteration 13: trace = 6.665843395823186 (0.0240444% change) linmin: converged after 4 iterations. iteration 14: trace = 6.664868522471854 (0.014626% change) linmin: converged after 3 iterations. iteration 15: trace = 6.663981786806647 (0.0133055% change) linmin: converged after 3 iterations. iteration 16: trace = 6.663285117079309 (0.0104548% change) linmin: converged after 4 iterations. iteration 17: trace = 6.662813208955624 (0.00708246% change) linmin: converged after 3 iterations. iteration 18: trace = 6.662657367646705 (0.002339% change) linmin: converged after 4 iterations. iteration 19: trace = 6.662510138439164 (0.00220979% change) large trace change predicted (0.00524066%) linmin: converged after 4 iterations. iteration 20: trace = 6.662160849211105 (0.00524274% change) linmin: converged after 4 iterations. iteration 21: trace = 6.661974209887713 (0.00280152% change) linmin: converged after 4 iterations. iteration 22: trace = 6.66170152082251 (0.0040933% change) linmin: converged after 5 iterations. iteration 23: trace = 6.661499720866331 (0.0030293% change) linmin: converged after 3 iterations. iteration 24: trace = 6.661401436786657 (0.00147542% change) linmin: converged after 3 iterations. iteration 25: trace = 6.661330968896682 (0.00105786% change) linmin: converged after 4 iterations. iteration 26: trace = 6.661273357516317 (0.000864867% change) linmin: converged after 5 iterations. iteration 27: trace = 6.661214838047401 (0.000878507% change) linmin: converged after 4 iterations. iteration 28: trace = 6.661157759367214 (0.000856885% change) linmin: converged after 7 iterations. iteration 29: trace = 6.661112661279383 (0.000677033% change) linmin: converged after 4 iterations. iteration 30: trace = 6.661070300454208 (0.000635944% change) linmin: converged after 5 iterations. iteration 31: trace = 6.661058308082435 (0.000180037% change) linmin: converged after 4 iterations. iteration 32: trace = 6.661042292619278 (0.000240435% change) linmin: converged after 3 iterations. iteration 33: trace = 6.661028283394771 (0.000210316% change) linmin: converged after 3 iterations. iteration 34: trace = 6.661012969933115 (0.000229897% change) linmin: converged after 3 iterations. iteration 35: trace = 6.661000272793938 (0.000190619% change) linmin: converged after 4 iterations. iteration 36: trace = 6.660981057689013 (0.000288472% change) linmin: converged after 5 iterations. iteration 37: trace = 6.66097484626115 (9.3251e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.660970536523317 (6.47013e-05% change) linmin: converged after 5 iterations. iteration 39: trace = 6.660965329844567 (7.8167e-05% change) linmin: converged after 3 iterations. iteration 40: trace = 6.660960399029722 (7.40256e-05% change) linmin: converged after 10 iterations. iteration 41: trace = 6.660955690643879 (7.06863e-05% change) linmin: converged after 4 iterations. iteration 42: trace = 6.660951410687202 (6.42544e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 6.660948058497674 (5.0326e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.660947085899565 (1.46015e-05% change) large trace change predicted (2.98576e-05%) linmin: converged after 3 iterations. iteration 45: trace = 6.660945097030234 (2.98587e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.660943821763703 (1.91454e-05% change) linmin: converged after 4 iterations. iteration 47: trace = 6.660942440408046 (2.07381e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 6.660941469338441 (1.45786e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.660940204087314 (1.89951e-05% change) linmin: converged after 8 iterations. iteration 50: trace = 6.660939460638701 (1.11613e-05% change) linmin: converged after 18 iterations. iteration 51: trace = 6.660938948010753 (7.69603e-06% change) linmin: converged after 3 iterations. iteration 52: trace = 6.660938435137051 (7.69972e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.660938003152385 (6.48534e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 6.660937690926922 (4.68741e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 6.660937258478996 (6.4923e-06% change) linmin: converged after 4 iterations. iteration 56: trace = 6.660937080992932 (2.66458e-06% change) linmin: converged after 5 iterations. iteration 57: trace = 6.660937039768026 (6.18906e-07% change) linmin: converged after 4 iterations. iteration 58: trace = 6.660936992664217 (7.07165e-07% change) linmin: converged after 4 iterations. iteration 59: trace = 6.660936943517086 (7.37841e-07% change) linmin: converged after 11 iterations. iteration 60: trace = 6.660936890569819 (7.94892e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 6.660936833464596 (8.57315e-07% change) linmin: converged after 3 iterations. iteration 62: trace = 6.660936777958383 (8.33309e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 6.660936765954752 (1.80209e-07% change) linmin: converged after 11 iterations. iteration 64: trace = 6.660936755016828 (1.6421e-07% change) linmin: converged after 23 iterations. iteration 65: trace = 6.660936746505238 (1.27784e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.660936740714567 (8.69348e-08% change) linmin: converged after 4 iterations. iteration 67: trace = 6.660936737170499 (5.32067e-08% change) linmin: converged after 8 iterations. iteration 68: trace = 6.660936730929444 (9.36964e-08% change) linmin: converged after 2 iterations. iteration 69: trace = 6.660936726678084 (6.38253e-08% change) resetting CG direction... linmin: converged after 23 iterations. iteration 70: trace = 6.660936725044762 (2.45209e-08% change) linmin: converged after 2 iterations. iteration 71: trace = 6.66093672376026 (1.92841e-08% change) linmin: converged after 5 iterations. iteration 72: trace = 6.660936722383243 (2.0673e-08% change) linmin: converged after 6 iterations. iteration 73: trace = 6.660936721385724 (1.49756e-08% change) linmin: converged after 4 iterations. iteration 74: trace = 6.660936720553642 (1.2492e-08% change) linmin: converged after 4 iterations. iteration 75: trace = 6.660936719204612 (2.02529e-08% change) linmin: converged after 9 iterations. iteration 76: trace = 6.66093671830386 (1.35229e-08% change) linmin: converged after 2 iterations. iteration 77: trace = 6.660936717517197 (1.18101e-08% change) linmin: converged after 15 iterations. iteration 78: trace = 6.660936716876098 (9.62477e-09% change) linmin: converged after 19 iterations. iteration 79: trace = 6.660936716382593 (7.40894e-09% change) linmin: converged after 8 iterations. iteration 80: trace = 6.660936716199961 (2.74183e-09% change) linmin: converged after 20 iterations. iteration 81: trace = 6.66093671585188 (5.22571e-09% change) linmin: converged after 3 iterations. iteration 82: trace = 6.660936715504916 (5.20893e-09% change) linmin: converged after 15 iterations. iteration 83: trace = 6.660936715305274 (2.99721e-09% change) linmin: converged after 24 iterations. iteration 84: trace = 6.660936715088267 (3.2579e-09% change) linmin: converged after 6 iterations. iteration 85: trace = 6.660936714937243 (2.26731e-09% change) linmin: converged after 4 iterations. iteration 86: trace = 6.660936714833909 (1.55135e-09% change) linmin: converged after 10 iterations. iteration 87: trace = 6.660936714751828 (1.23227e-09% change) linmin: converged after 30 iterations. iteration 88: trace = 6.660936714698265 (8.04142e-10% change) linmin: converged after 4 iterations. iteration 89: trace = 6.660936714617674 (1.2099e-09% change) linmin: converged after 4 iterations. iteration 90: trace = 6.660936714577209 (6.0749e-10% change) linmin: converged after 9 iterations. iteration 91: trace = 6.660936714542672 (5.18511e-10% change) linmin: converged after 4 iterations. iteration 92: trace = 6.660936714523171 (2.92764e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 6.660936714512303 (1.63156e-10% change) linmin: converged after 6 iterations. iteration 94: trace = 6.660936714494095 (2.73363e-10% change) linmin: converged after 6 iterations. iteration 95: trace = 6.660936714476128 (2.69736e-10% change) linmin: converged after 4 iterations. iteration 96: trace = 6.660936714460328 (2.37201e-10% change) linmin: converged after 6 iterations. iteration 97: trace = 6.660936714455204 (7.69246e-11% change) Finished solving for bands 1 to 8 after 97 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.39535, 0.591668, 0.641198, 0.766761, 1.02252, 1.04927, 1.20755, 1.24532 elapsed time for k point: 1.6264216899871826 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.828692985255513 (0.25821% change) linmin: converged after 4 iterations. iteration 2: trace = 6.814914958717888 (0.20197% change) linmin: converged after 4 iterations. iteration 3: trace = 6.803492584651348 (0.167749% change) linmin: converged after 4 iterations. iteration 4: trace = 6.798487196710298 (0.0735979% change) linmin: converged after 4 iterations. iteration 5: trace = 6.793361668467692 (0.0754206% change) linmin: converged after 4 iterations. iteration 6: trace = 6.785739194302995 (0.112268% change) linmin: converged after 4 iterations. iteration 7: trace = 6.782648759811345 (0.0455535% change) large trace change predicted (0.100602%) linmin: converged after 4 iterations. iteration 8: trace = 6.775936771538365 (0.0990072% change) linmin: converged after 4 iterations. iteration 9: trace = 6.76750207926135 (0.124558% change) linmin: converged after 5 iterations. iteration 10: trace = 6.763226516268431 (0.0631978% change) linmin: converged after 4 iterations. iteration 11: trace = 6.757059642568448 (0.091224% change) linmin: converged after 3 iterations. iteration 12: trace = 6.751376309171268 (0.084145% change) linmin: converged after 3 iterations. iteration 13: trace = 6.74920092639235 (0.0322265% change) large trace change predicted (0.0987655%) linmin: converged after 4 iterations. iteration 14: trace = 6.742591229789542 (0.097981% change) linmin: converged after 3 iterations. iteration 15: trace = 6.740640357031705 (0.0289378% change) linmin: converged after 4 iterations. iteration 16: trace = 6.737712679967155 (0.0434427% change) linmin: converged after 4 iterations. iteration 17: trace = 6.734520621893026 (0.0473872% change) linmin: converged after 4 iterations. iteration 18: trace = 6.732582887557093 (0.0287773% change) linmin: converged after 4 iterations. iteration 19: trace = 6.729242203109808 (0.049632% change) linmin: converged after 4 iterations. iteration 20: trace = 6.728109170839498 (0.0168389% change) linmin: converged after 3 iterations. iteration 21: trace = 6.726644074815275 (0.0217781% change) linmin: converged after 4 iterations. iteration 22: trace = 6.725872502737706 (0.011471% change) linmin: converged after 3 iterations. iteration 23: trace = 6.725359722237036 (0.00762429% change) linmin: converged after 3 iterations. iteration 24: trace = 6.724756243961657 (0.00897358% change) linmin: converged after 4 iterations. iteration 25: trace = 6.724231259307771 (0.00780705% change) linmin: converged after 4 iterations. iteration 26: trace = 6.723530379609603 (0.0104237% change) linmin: converged after 5 iterations. iteration 27: trace = 6.723053502408109 (0.00709291% change) linmin: converged after 4 iterations. iteration 28: trace = 6.722658816062237 (0.00587081% change) linmin: converged after 5 iterations. iteration 29: trace = 6.722318014539565 (0.00506957% change) linmin: converged after 3 iterations. iteration 30: trace = 6.722110922736035 (0.00308071% change) linmin: converged after 3 iterations. iteration 31: trace = 6.721805718311747 (0.00454041% change) linmin: converged after 3 iterations. iteration 32: trace = 6.721654532163565 (0.00224921% change) linmin: converged after 3 iterations. iteration 33: trace = 6.721517296930184 (0.00204171% change) linmin: converged after 3 iterations. iteration 34: trace = 6.721358414343628 (0.00236382% change) linmin: converged after 3 iterations. iteration 35: trace = 6.721272057076914 (0.00128483% change) linmin: converged after 3 iterations. iteration 36: trace = 6.721179698515621 (0.00137413% change) linmin: converged after 4 iterations. iteration 37: trace = 6.721123290389593 (0.000839263% change) linmin: converged after 3 iterations. iteration 38: trace = 6.721064007555115 (0.000882041% change) linmin: converged after 3 iterations. iteration 39: trace = 6.720970916632936 (0.00138507% change) linmin: converged after 4 iterations. iteration 40: trace = 6.720931113116802 (0.00059223% change) large trace change predicted (0.00161287%) linmin: converged after 3 iterations. iteration 41: trace = 6.720822623890378 (0.00161421% change) linmin: converged after 4 iterations. iteration 42: trace = 6.720798453067737 (0.000359641% change) large trace change predicted (0.00072685%) linmin: converged after 4 iterations. iteration 43: trace = 6.720749733976057 (0.000724903% change) linmin: converged after 4 iterations. iteration 44: trace = 6.720722595084496 (0.000403808% change) linmin: converged after 6 iterations. iteration 45: trace = 6.72070519464113 (0.000258908% change) large trace change predicted (0.000642164%) linmin: converged after 4 iterations. iteration 46: trace = 6.720662126203855 (0.000640834% change) linmin: converged after 3 iterations. iteration 47: trace = 6.720647152289041 (0.000222804% change) linmin: converged after 4 iterations. iteration 48: trace = 6.720620433002678 (0.000397571% change) linmin: converged after 11 iterations. iteration 49: trace = 6.720599308185365 (0.000314329% change) linmin: converged after 3 iterations. iteration 50: trace = 6.720588136981703 (0.000166223% change) linmin: converged after 3 iterations. iteration 51: trace = 6.720572436427617 (0.000233619% change) linmin: converged after 3 iterations. iteration 52: trace = 6.72056049694121 (0.000177656% change) linmin: converged after 3 iterations. iteration 53: trace = 6.720550778135126 (0.000144613% change) linmin: converged after 3 iterations. iteration 54: trace = 6.720542011158692 (0.00013045% change) linmin: converged after 3 iterations. iteration 55: trace = 6.720538071527956 (5.86207e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.720533814328341 (6.33461e-05% change) linmin: converged after 4 iterations. iteration 57: trace = 6.720531115076216 (4.01643e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 6.720527586998029 (5.2497e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.720523739884466 (5.72442e-05% change) linmin: converged after 2 iterations. iteration 60: trace = 6.720520451870737 (4.8925e-05% change) linmin: converged after 4 iterations. iteration 61: trace = 6.720515634887098 (7.16758e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 6.720513695342545 (2.88601e-05% change) linmin: converged after 9 iterations. iteration 63: trace = 6.720511339602329 (3.5053e-05% change) linmin: converged after 2 iterations. iteration 64: trace = 6.720510233185403 (1.64633e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.720509525506582 (1.05301e-05% change) linmin: converged after 2 iterations. iteration 66: trace = 6.720508403187231 (1.66999e-05% change) linmin: converged after 3 iterations. iteration 67: trace = 6.720507795259017 (9.04587e-06% change) large trace change predicted (2.55068e-05%) linmin: converged after 4 iterations. iteration 68: trace = 6.720506081120501 (2.55061e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 6.720505165761937 (1.36204e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 6.720504632092217 (7.94092e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.720503757781854 (1.30096e-05% change) linmin: converged after 3 iterations. iteration 72: trace = 6.720503154889929 (8.97093e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.720502824753362 (4.91238e-06% change) linmin: converged after 10 iterations. iteration 74: trace = 6.720502266994099 (8.29937e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 6.720501617550491 (9.66362e-06% change) linmin: converged after 16 iterations. iteration 76: trace = 6.72050132524328 (4.34949e-06% change) linmin: converged after 5 iterations. iteration 77: trace = 6.72050092302343 (5.98497e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.720500448277138 (7.06415e-06% change) linmin: converged after 3 iterations. iteration 79: trace = 6.720500086817101 (5.37847e-06% change) linmin: converged after 3 iterations. iteration 80: trace = 6.720499710661825 (5.59713e-06% change) linmin: converged after 3 iterations. iteration 81: trace = 6.720499408582076 (4.4949e-06% change) linmin: converged after 10 iterations. iteration 82: trace = 6.720499351211943 (8.53659e-07% change) linmin: converged after 3 iterations. iteration 83: trace = 6.720499245537262 (1.57242e-06% change) linmin: converged after 5 iterations. iteration 84: trace = 6.720499132633647 (1.67999e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 6.720498945846558 (2.77936e-06% change) linmin: converged after 5 iterations. iteration 86: trace = 6.720498853802883 (1.3696e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 6.720498761881776 (1.36777e-06% change) linmin: converged after 4 iterations. iteration 88: trace = 6.720498674047028 (1.30697e-06% change) linmin: converged after 3 iterations. iteration 89: trace = 6.720498653756732 (3.01917e-07% change) linmin: converged after 6 iterations. iteration 90: trace = 6.720498625579902 (4.19267e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.720498602026316 (3.50474e-07% change) linmin: converged after 17 iterations. iteration 92: trace = 6.720498577235981 (3.68876e-07% change) linmin: converged after 5 iterations. iteration 93: trace = 6.720498560432882 (2.50028e-07% change) linmin: converged after 3 iterations. iteration 94: trace = 6.720498532196494 (4.20153e-07% change) linmin: converged after 13 iterations. iteration 95: trace = 6.720498515826469 (2.43583e-07% change) linmin: converged after 5 iterations. iteration 96: trace = 6.720498508756977 (1.05193e-07% change) linmin: converged after 7 iterations. iteration 97: trace = 6.720498499076413 (1.44045e-07% change) linmin: converged after 6 iterations. iteration 98: trace = 6.720498492479116 (9.81668e-08% change) linmin: converged after 4 iterations. iteration 99: trace = 6.720498490340036 (3.18292e-08% change) linmin: converged after 4 iterations. iteration 100: trace = 6.720498486345392 (5.94397e-08% change) linmin: converged after 13 iterations. iteration 101: trace = 6.720498482663497 (5.4786e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.720498480487974 (3.23715e-08% change) linmin: converged after 18 iterations. iteration 103: trace = 6.720498478117085 (3.52785e-08% change) linmin: converged after 11 iterations. iteration 104: trace = 6.720498474211793 (5.81102e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 6.720498473308808 (1.34363e-08% change) linmin: converged after 8 iterations. iteration 106: trace = 6.72049847187799 (2.12904e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 6.720498470929291 (1.41165e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 6.720498470282753 (9.62039e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 6.720498469398104 (1.31635e-08% change) linmin: converged after 4 iterations. iteration 110: trace = 6.7204984685873 (1.20646e-08% change) linmin: converged after 10 iterations. iteration 111: trace = 6.720498468317896 (4.00869e-09% change) large trace change predicted (9.93609e-09%) linmin: converged after 5 iterations. iteration 112: trace = 6.720498467650135 (9.93618e-09% change) linmin: converged after 6 iterations. iteration 113: trace = 6.720498466970561 (1.0112e-08% change) linmin: converged after 17 iterations. iteration 114: trace = 6.720498466648559 (4.79134e-09% change) linmin: converged after 11 iterations. iteration 115: trace = 6.720498466440946 (3.08926e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 6.720498466254577 (2.77313e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 6.720498466102986 (2.25566e-09% change) linmin: converged after 27 iterations. iteration 118: trace = 6.720498466035002 (1.01159e-09% change) large trace change predicted (2.40243e-09%) linmin: converged after 4 iterations. iteration 119: trace = 6.720498465873521 (2.40281e-09% change) linmin: converged after 18 iterations. iteration 120: trace = 6.720498465788854 (1.25984e-09% change) linmin: converged after 21 iterations. iteration 121: trace = 6.720498465730246 (8.72068e-10% change) linmin: converged after 3 iterations. iteration 122: trace = 6.720498465696937 (4.95638e-10% change) large trace change predicted (1.14218e-09%) linmin: converged after 12 iterations. iteration 123: trace = 6.720498465620151 (1.14257e-09% change) linmin: converged after 15 iterations. iteration 124: trace = 6.720498465584337 (5.32907e-10% change) linmin: converged after 8 iterations. iteration 125: trace = 6.720498465572751 (1.72389e-10% change) linmin: converged after 9 iterations. iteration 126: trace = 6.720498465558192 (2.16636e-10% change) linmin: converged after 5 iterations. iteration 127: trace = 6.72049846555199 (9.22871e-11% change) Finished solving for bands 1 to 8 after 127 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.326025, 0.580731, 0.672069, 0.852808, 0.974388, 1.03211, 1.23516, 1.24808 elapsed time for k point: 2.0912041664123535 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.805955407119279 (0.370679% change) linmin: converged after 5 iterations. iteration 2: trace = 6.786471672971073 (0.286685% change) linmin: converged after 4 iterations. iteration 3: trace = 6.766412282754509 (0.296017% change) linmin: converged after 6 iterations. iteration 4: trace = 6.762821500941678 (0.0530818% change) large trace change predicted (0.161506%) linmin: converged after 4 iterations. iteration 5: trace = 6.751550689300876 (0.166797% change) linmin: converged after 4 iterations. iteration 6: trace = 6.745348979129769 (0.0918983% change) linmin: converged after 4 iterations. iteration 7: trace = 6.741351591871569 (0.059279% change) linmin: converged after 3 iterations. iteration 8: trace = 6.737815025781788 (0.0524746% change) linmin: converged after 3 iterations. iteration 9: trace = 6.7365002573271 (0.0195152% change) large trace change predicted (0.0500715%) linmin: converged after 3 iterations. iteration 10: trace = 6.733113237418726 (0.0502913% change) linmin: converged after 4 iterations. iteration 11: trace = 6.731523167666415 (0.0236185% change) linmin: converged after 3 iterations. iteration 12: trace = 6.729172173701273 (0.0349312% change) linmin: converged after 4 iterations. iteration 13: trace = 6.726626314796 (0.0378403% change) linmin: converged after 4 iterations. iteration 14: trace = 6.725266952034954 (0.0202107% change) linmin: converged after 4 iterations. iteration 15: trace = 6.722631963231719 (0.0391881% change) linmin: converged after 4 iterations. iteration 16: trace = 6.721297420401157 (0.0198535% change) linmin: converged after 3 iterations. iteration 17: trace = 6.71879867582325 (0.0371834% change) linmin: converged after 4 iterations. iteration 18: trace = 6.717806138151228 (0.0147736% change) linmin: converged after 3 iterations. iteration 19: trace = 6.716974630090772 (0.0123784% change) linmin: converged after 3 iterations. iteration 20: trace = 6.716373071780564 (0.00895619% change) linmin: converged after 3 iterations. iteration 21: trace = 6.716154315106087 (0.00325712% change) large trace change predicted (0.0101661%) linmin: converged after 9 iterations. iteration 22: trace = 6.715471638599414 (0.0101652% change) linmin: converged after 6 iterations. iteration 23: trace = 6.715183467125529 (0.00429125% change) large trace change predicted (0.0113967%) linmin: converged after 3 iterations. iteration 24: trace = 6.714417845654847 (0.011402% change) linmin: converged after 3 iterations. iteration 25: trace = 6.714024020518119 (0.00586554% change) linmin: converged after 3 iterations. iteration 26: trace = 6.713806572225872 (0.00323877% change) linmin: converged after 6 iterations. iteration 27: trace = 6.713579700461155 (0.00337924% change) linmin: converged after 4 iterations. iteration 28: trace = 6.713511763431878 (0.00101194% change) large trace change predicted (0.00208825%) linmin: converged after 3 iterations. iteration 29: trace = 6.713371333110906 (0.00209178% change) linmin: converged after 3 iterations. iteration 30: trace = 6.713315102708847 (0.000837592% change) large trace change predicted (0.00185183%) linmin: converged after 11 iterations. iteration 31: trace = 6.713190944170838 (0.00184945% change) linmin: converged after 4 iterations. iteration 32: trace = 6.713118704451396 (0.00107609% change) linmin: converged after 4 iterations. iteration 33: trace = 6.713048706443449 (0.00104271% change) linmin: converged after 4 iterations. iteration 34: trace = 6.712960198619183 (0.00131845% change) linmin: converged after 3 iterations. iteration 35: trace = 6.712939425661316 (0.000309446% change) large trace change predicted (0.000713849%) linmin: converged after 4 iterations. iteration 36: trace = 6.71289150613811 (0.000713841% change) linmin: converged after 4 iterations. iteration 37: trace = 6.712883809523645 (0.000114654% change) large trace change predicted (0.000490015%) linmin: converged after 3 iterations. iteration 38: trace = 6.712850924103984 (0.000489886% change) linmin: converged after 5 iterations. iteration 39: trace = 6.712831961188175 (0.000282487% change) linmin: converged after 3 iterations. iteration 40: trace = 6.712819123590454 (0.00019124% change) linmin: converged after 6 iterations. iteration 41: trace = 6.712799137755381 (0.000297727% change) linmin: converged after 3 iterations. iteration 42: trace = 6.712794544855215 (6.84201e-05% change) large trace change predicted (0.000162516%) linmin: converged after 4 iterations. iteration 43: trace = 6.712783639017372 (0.000162464% change) linmin: converged after 5 iterations. iteration 44: trace = 6.712781297512676 (3.48813e-05% change) large trace change predicted (8.74754e-05%) linmin: converged after 4 iterations. iteration 45: trace = 6.712775425522127 (8.74748e-05% change) linmin: converged after 8 iterations. iteration 46: trace = 6.712773788389489 (2.43883e-05% change) large trace change predicted (5.1555e-05%) linmin: converged after 4 iterations. iteration 47: trace = 6.712770326231837 (5.15757e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.712767504057492 (4.20419e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 6.712766706253431 (1.18849e-05% change) large trace change predicted (4.49303e-05%) linmin: converged after 4 iterations. iteration 50: trace = 6.712763689740805 (4.4937e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 6.712763102564603 (8.74716e-06% change) large trace change predicted (2.71733e-05%) linmin: converged after 4 iterations. iteration 52: trace = 6.712761278473504 (2.71735e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 6.712760420854774 (1.27759e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 6.712759718317804 (1.04657e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.7127590223885 (1.03673e-05% change) linmin: converged after 4 iterations. iteration 56: trace = 6.712758847552417 (2.60453e-06% change) large trace change predicted (8.44524e-06%) linmin: converged after 5 iterations. iteration 57: trace = 6.712758280749427 (8.44367e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 6.712758165282829 (1.72011e-06% change) large trace change predicted (5.84921e-06%) linmin: converged after 3 iterations. iteration 59: trace = 6.712757772704665 (5.84824e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.712757572844147 (2.97732e-06% change) linmin: converged after 3 iterations. iteration 61: trace = 6.712757429150242 (2.14061e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.712757251626211 (2.64458e-06% change) linmin: converged after 4 iterations. iteration 63: trace = 6.712757218530103 (4.93033e-07% change) large trace change predicted (1.7591e-06%) linmin: converged after 3 iterations. iteration 64: trace = 6.712757100441071 (1.75917e-06% change) linmin: converged after 18 iterations. iteration 65: trace = 6.712757077214206 (3.46011e-07% change) large trace change predicted (7.75061e-07%) linmin: converged after 2 iterations. iteration 66: trace = 6.712757025184999 (7.7508e-07% change) linmin: converged after 5 iterations. iteration 67: trace = 6.712756982512719 (6.35689e-07% change) linmin: converged after 17 iterations. iteration 68: trace = 6.712756959209372 (3.4715e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 6.712756913028377 (6.87959e-07% change) resetting CG direction... linmin: converged after 16 iterations. iteration 70: trace = 6.712756900866633 (1.81174e-07% change) linmin: converged after 4 iterations. iteration 71: trace = 6.712756887625208 (1.97258e-07% change) linmin: converged after 10 iterations. iteration 72: trace = 6.712756883398244 (6.29691e-08% change) large trace change predicted (1.50435e-07%) linmin: converged after 4 iterations. iteration 73: trace = 6.712756873300028 (1.50433e-07% change) linmin: converged after 21 iterations. iteration 74: trace = 6.712756865402284 (1.17653e-07% change) linmin: converged after 4 iterations. iteration 75: trace = 6.712756859681702 (8.52196e-08% change) large trace change predicted (2.04458e-07%) linmin: converged after 4 iterations. iteration 76: trace = 6.71275684595695 (2.04458e-07% change) linmin: converged after 7 iterations. iteration 77: trace = 6.712756843615397 (3.48821e-08% change) large trace change predicted (1.27351e-07%) linmin: converged after 4 iterations. iteration 78: trace = 6.712756835066536 (1.27352e-07% change) linmin: converged after 10 iterations. iteration 79: trace = 6.71275683047742 (6.83641e-08% change) linmin: converged after 7 iterations. iteration 80: trace = 6.712756828630578 (2.75124e-08% change) linmin: converged after 8 iterations. iteration 81: trace = 6.712756824945124 (5.49022e-08% change) linmin: converged after 20 iterations. iteration 82: trace = 6.712756821599785 (4.98355e-08% change) linmin: converged after 4 iterations. iteration 83: trace = 6.712756819705477 (2.82195e-08% change) linmin: converged after 4 iterations. iteration 84: trace = 6.712756818830099 (1.30405e-08% change) large trace change predicted (3.06702e-08%) linmin: converged after 5 iterations. iteration 85: trace = 6.712756816771301 (3.06699e-08% change) linmin: converged after 10 iterations. iteration 86: trace = 6.712756816045853 (1.0807e-08% change) linmin: converged after 4 iterations. iteration 87: trace = 6.712756815010954 (1.54169e-08% change) linmin: converged after 6 iterations. iteration 88: trace = 6.712756814342402 (9.95943e-09% change) linmin: converged after 6 iterations. iteration 89: trace = 6.71275681403063 (4.64447e-09% change) linmin: converged after 6 iterations. iteration 90: trace = 6.712756813425665 (9.01217e-09% change) linmin: converged after 29 iterations. iteration 91: trace = 6.712756812964151 (6.87518e-09% change) linmin: converged after 4 iterations. iteration 92: trace = 6.712756812821946 (2.11842e-09% change) large trace change predicted (6.79912e-09%) linmin: converged after 4 iterations. iteration 93: trace = 6.712756812365541 (6.79908e-09% change) linmin: converged after 4 iterations. iteration 94: trace = 6.712756812001355 (5.42528e-09% change) linmin: converged after 4 iterations. iteration 95: trace = 6.712756811898637 (1.53019e-09% change) large trace change predicted (3.83241e-09%) linmin: converged after 4 iterations. iteration 96: trace = 6.712756811641375 (3.83243e-09% change) linmin: converged after 16 iterations. iteration 97: trace = 6.712756811557981 (1.24233e-09% change) linmin: converged after 13 iterations. iteration 98: trace = 6.712756811501851 (8.36159e-10% change) large trace change predicted (1.79397e-09%) linmin: converged after 6 iterations. iteration 99: trace = 6.712756811381425 (1.79399e-09% change) linmin: converged after 6 iterations. iteration 100: trace = 6.712756811351598 (4.4433e-10% change) large trace change predicted (1.65647e-09%) linmin: converged after 12 iterations. iteration 101: trace = 6.712756811240403 (1.65648e-09% change) linmin: converged after 4 iterations. iteration 102: trace = 6.712756811183711 (8.44534e-10% change) linmin: converged after 4 iterations. iteration 103: trace = 6.712756811155595 (4.18847e-10% change) linmin: converged after 3 iterations. iteration 104: trace = 6.712756811110332 (6.74275e-10% change) linmin: converged after 4 iterations. iteration 105: trace = 6.712756811080169 (4.49345e-10% change) linmin: converged after 4 iterations. iteration 106: trace = 6.7127568110748 (7.99826e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.226064, 0.606225, 0.716276, 0.861027, 1.00531, 1.00779, 1.22714, 1.22782 elapsed time for k point: 1.7368972301483154 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.804447869693438 (0.0750921% change) large trace change predicted (0.247846%) linmin: converged after 3 iterations. iteration 2: trace = 6.787509655725137 (0.249239% change) linmin: converged after 7 iterations. iteration 3: trace = 6.784165985562018 (0.0492742% change) large trace change predicted (0.154109%) linmin: converged after 4 iterations. iteration 4: trace = 6.773847189264482 (0.152217% change) linmin: converged after 4 iterations. iteration 5: trace = 6.772519783104526 (0.019598% change) large trace change predicted (0.0906909%) linmin: converged after 4 iterations. iteration 6: trace = 6.766221006305754 (0.0930482% change) linmin: converged after 3 iterations. iteration 7: trace = 6.765489265063603 (0.0108152% change) large trace change predicted (0.078985%) linmin: converged after 4 iterations. iteration 8: trace = 6.759960176182674 (0.0817583% change) linmin: converged after 3 iterations. iteration 9: trace = 6.759699815415026 (0.00385159% change) large trace change predicted (0.0309307%) linmin: converged after 3 iterations. iteration 10: trace = 6.75760379220355 (0.0310124% change) linmin: converged after 3 iterations. iteration 11: trace = 6.757368969775237 (0.003475% change) large trace change predicted (0.0247089%) linmin: converged after 4 iterations. iteration 12: trace = 6.755700214499486 (0.0246984% change) linmin: converged after 5 iterations. iteration 13: trace = 6.75550475450202 (0.0028933% change) large trace change predicted (0.0128515%) linmin: converged after 4 iterations. iteration 14: trace = 6.754652076263261 (0.0126228% change) linmin: converged after 4 iterations. iteration 15: trace = 6.754115821550831 (0.00793936% change) linmin: converged after 4 iterations. iteration 16: trace = 6.75354266441455 (0.0084864% change) large trace change predicted (0.0199715%) linmin: converged after 3 iterations. iteration 17: trace = 6.752183278888057 (0.0201305% change) linmin: converged after 4 iterations. iteration 18: trace = 6.752084937372635 (0.00145645% change) large trace change predicted (0.015881%) linmin: converged after 4 iterations. iteration 19: trace = 6.751015905942534 (0.0158339% change) linmin: converged after 4 iterations. iteration 20: trace = 6.750877637675687 (0.00204813% change) large trace change predicted (0.0154239%) linmin: converged after 3 iterations. iteration 21: trace = 6.749833198332526 (0.0154724% change) linmin: converged after 4 iterations. iteration 22: trace = 6.74972826936394 (0.00155455% change) large trace change predicted (0.0115026%) linmin: converged after 8 iterations. iteration 23: trace = 6.748952009360782 (0.0115013% change) linmin: converged after 4 iterations. iteration 24: trace = 6.748764532872391 (0.0027779% change) linmin: converged after 3 iterations. iteration 25: trace = 6.748476016869696 (0.00427519% change) linmin: converged after 4 iterations. iteration 26: trace = 6.748262766916421 (0.00316002% change) linmin: converged after 3 iterations. iteration 27: trace = 6.748165138452207 (0.00144673% change) large trace change predicted (0.00385793%) linmin: converged after 4 iterations. iteration 28: trace = 6.747905811685442 (0.003843% change) linmin: converged after 3 iterations. iteration 29: trace = 6.747846597828142 (0.000877518% change) large trace change predicted (0.00317737%) linmin: converged after 4 iterations. iteration 30: trace = 6.747632827557808 (0.00316803% change) linmin: converged after 3 iterations. iteration 31: trace = 6.747606383915373 (0.000391896% change) large trace change predicted (0.00306598%) linmin: converged after 4 iterations. iteration 32: trace = 6.747399941828643 (0.00305953% change) linmin: converged after 17 iterations. iteration 33: trace = 6.747387710678405 (0.000181272% change) large trace change predicted (0.00242322%) linmin: converged after 4 iterations. iteration 34: trace = 6.747225017043755 (0.00241124% change) linmin: converged after 3 iterations. iteration 35: trace = 6.74719395896171 (0.00046031% change) large trace change predicted (0.00107865%) linmin: converged after 4 iterations. iteration 36: trace = 6.747121430882578 (0.00107494% change) linmin: converged after 3 iterations. iteration 37: trace = 6.747099768377565 (0.000321063% change) large trace change predicted (0.000751345%) linmin: converged after 7 iterations. iteration 38: trace = 6.747049141332233 (0.000750356% change) linmin: converged after 3 iterations. iteration 39: trace = 6.747008134577968 (0.000607775% change) linmin: converged after 6 iterations. iteration 40: trace = 6.746998868111046 (0.000137342% change) large trace change predicted (0.000631484%) linmin: converged after 3 iterations. iteration 41: trace = 6.746956261162633 (0.000631497% change) linmin: converged after 4 iterations. iteration 42: trace = 6.746953503830355 (4.08678e-05% change) large trace change predicted (0.000481239%) linmin: converged after 4 iterations. iteration 43: trace = 6.746921047821653 (0.000481048% change) linmin: converged after 4 iterations. iteration 44: trace = 6.746917365658121 (5.45755e-05% change) large trace change predicted (0.000269885%) linmin: converged after 4 iterations. iteration 45: trace = 6.746899160773951 (0.000269826% change) linmin: converged after 4 iterations. iteration 46: trace = 6.746895007667112 (6.15558e-05% change) large trace change predicted (0.000193039%) linmin: converged after 4 iterations. iteration 47: trace = 6.746881975650567 (0.000193156% change) linmin: converged after 6 iterations. iteration 48: trace = 6.746874480898098 (0.000111085% change) linmin: converged after 3 iterations. iteration 49: trace = 6.746868148850098 (9.38516e-05% change) linmin: converged after 8 iterations. iteration 50: trace = 6.746857504252788 (0.000157771% change) linmin: converged after 3 iterations. iteration 51: trace = 6.746855517661848 (2.94447e-05% change) large trace change predicted (0.000214722%) linmin: converged after 3 iterations. iteration 52: trace = 6.746841038272771 (0.00021461% change) linmin: converged after 5 iterations. iteration 53: trace = 6.746840193626024 (1.25191e-05% change) large trace change predicted (9.31719e-05%) linmin: converged after 5 iterations. iteration 54: trace = 6.746833910261626 (9.31305e-05% change) linmin: converged after 5 iterations. iteration 55: trace = 6.746833185643831 (1.07401e-05% change) large trace change predicted (5.96497e-05%) linmin: converged after 6 iterations. iteration 56: trace = 6.746829162646375 (5.9628e-05% change) linmin: converged after 4 iterations. iteration 57: trace = 6.746828725850004 (6.4741e-06% change) large trace change predicted (2.46672e-05%) linmin: converged after 4 iterations. iteration 58: trace = 6.74682706241191 (2.46551e-05% change) linmin: converged after 4 iterations. iteration 59: trace = 6.746825889435496 (1.73856e-05% change) linmin: converged after 5 iterations. iteration 60: trace = 6.746825452605031 (6.47461e-06% change) large trace change predicted (2.95831e-05%) linmin: converged after 4 iterations. iteration 61: trace = 6.746823456514624 (2.95856e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 6.74682312708731 (4.8827e-06% change) large trace change predicted (2.68475e-05%) linmin: converged after 7 iterations. iteration 63: trace = 6.746821315819687 (2.68462e-05% change) linmin: converged after 5 iterations. iteration 64: trace = 6.746821184197783 (1.95087e-06% change) large trace change predicted (1.52551e-05%) linmin: converged after 3 iterations. iteration 65: trace = 6.746820154886025 (1.52562e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 6.74682008159591 (1.08629e-06% change) large trace change predicted (7.0869e-06%) linmin: converged after 4 iterations. iteration 67: trace = 6.746819603423841 (7.08737e-06% change) linmin: converged after 4 iterations. iteration 68: trace = 6.746819452657068 (2.23463e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 6.74681925725069 (2.89627e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.746819149128022 (1.60257e-06% change) linmin: converged after 4 iterations. iteration 71: trace = 6.746819008780775 (2.0802e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 6.746818910266775 (1.46015e-06% change) linmin: converged after 6 iterations. iteration 73: trace = 6.746818745256075 (2.44576e-06% change) linmin: converged after 14 iterations. iteration 74: trace = 6.746818616848034 (1.90324e-06% change) linmin: converged after 8 iterations. iteration 75: trace = 6.746818399267342 (3.22494e-06% change) linmin: converged after 3 iterations. iteration 76: trace = 6.746818285390667 (1.68786e-06% change) linmin: converged after 3 iterations. iteration 77: trace = 6.746818109860148 (2.60168e-06% change) linmin: converged after 4 iterations. iteration 78: trace = 6.746818071162068 (5.73575e-07% change) large trace change predicted (1.54225e-06%) linmin: converged after 3 iterations. iteration 79: trace = 6.746817967111523 (1.54222e-06% change) linmin: converged after 3 iterations. iteration 80: trace = 6.746817915084646 (7.71132e-07% change) linmin: converged after 3 iterations. iteration 81: trace = 6.746817907453561 (1.13106e-07% change) large trace change predicted (1.23711e-06%) linmin: converged after 3 iterations. iteration 82: trace = 6.746817823983427 (1.23718e-06% change) linmin: converged after 3 iterations. iteration 83: trace = 6.746817816794151 (1.06558e-07% change) large trace change predicted (1.05405e-06%) linmin: converged after 13 iterations. iteration 84: trace = 6.746817745681449 (1.05402e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 6.746817736400753 (1.37557e-07% change) large trace change predicted (4.53489e-07%) linmin: converged after 13 iterations. iteration 86: trace = 6.746817705804903 (4.53486e-07% change) linmin: converged after 3 iterations. iteration 87: trace = 6.746817697586772 (1.21808e-07% change) linmin: converged after 10 iterations. iteration 88: trace = 6.746817681475308 (2.38801e-07% change) linmin: converged after 4 iterations. iteration 89: trace = 6.746817679547584 (2.85724e-08% change) large trace change predicted (1.96433e-07%) linmin: converged after 3 iterations. iteration 90: trace = 6.746817666294767 (1.96431e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.746817665259217 (1.53487e-08% change) large trace change predicted (1.42894e-07%) linmin: converged after 8 iterations. iteration 92: trace = 6.746817655618465 (1.42893e-07% change) linmin: converged after 19 iterations. iteration 93: trace = 6.746817651322226 (6.3678e-08% change) linmin: converged after 12 iterations. iteration 94: trace = 6.746817646094575 (7.74832e-08% change) linmin: converged after 4 iterations. iteration 95: trace = 6.74681764375525 (3.4673e-08% change) large trace change predicted (9.05918e-08%) linmin: converged after 4 iterations. iteration 96: trace = 6.746817637643186 (9.05918e-08% change) linmin: converged after 16 iterations. iteration 97: trace = 6.746817634241782 (5.04149e-08% change) linmin: converged after 2 iterations. iteration 98: trace = 6.746817629968537 (6.33372e-08% change) linmin: converged after 7 iterations. iteration 99: trace = 6.746817626155366 (5.65181e-08% change) linmin: converged after 4 iterations. iteration 100: trace = 6.746817625994169 (2.38923e-09% change) large trace change predicted (2.54378e-08%) linmin: converged after 13 iterations. iteration 101: trace = 6.746817624277909 (2.54381e-08% change) linmin: converged after 6 iterations. iteration 102: trace = 6.74681762410266 (2.59751e-09% change) large trace change predicted (1.54036e-08%) linmin: converged after 7 iterations. iteration 103: trace = 6.746817623063412 (1.54035e-08% change) linmin: converged after 5 iterations. iteration 104: trace = 6.746817622939314 (1.83936e-09% change) large trace change predicted (1.70387e-08%) linmin: converged after 9 iterations. iteration 105: trace = 6.74681762178975 (1.70386e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 6.746817621670377 (1.76931e-09% change) large trace change predicted (1.69154e-08%) linmin: converged after 6 iterations. iteration 107: trace = 6.746817620529133 (1.69153e-08% change) linmin: converged after 18 iterations. iteration 108: trace = 6.746817620451022 (1.15774e-09% change) large trace change predicted (1.17833e-08%) linmin: converged after 21 iterations. iteration 109: trace = 6.746817619656023 (1.17833e-08% change) linmin: converged after 18 iterations. iteration 110: trace = 6.746817619617032 (5.77917e-10% change) large trace change predicted (5.8937e-09%) linmin: converged after 6 iterations. iteration 111: trace = 6.746817619219387 (5.89381e-09% change) linmin: converged after 6 iterations. iteration 112: trace = 6.746817619117733 (1.50669e-09% change) linmin: converged after 3 iterations. iteration 113: trace = 6.746817619024501 (1.38187e-09% change) linmin: converged after 23 iterations. iteration 114: trace = 6.746817618850473 (2.57941e-09% change) linmin: converged after 12 iterations. iteration 115: trace = 6.74681761878775 (9.2967e-10% change) large trace change predicted (2.88895e-09%) linmin: converged after 8 iterations. iteration 116: trace = 6.746817618592843 (2.88888e-09% change) linmin: converged after 20 iterations. iteration 117: trace = 6.746817618583584 (1.37226e-10% change) large trace change predicted (1.21385e-09%) linmin: converged after 18 iterations. iteration 118: trace = 6.746817618501693 (1.21378e-09% change) linmin: converged after 19 iterations. iteration 119: trace = 6.746817618493631 (1.1948e-10% change) large trace change predicted (1.17106e-09%) linmin: converged after 4 iterations. iteration 120: trace = 6.746817618414632 (1.17092e-09% change) linmin: converged after 4 iterations. iteration 121: trace = 6.746817618405842 (1.30275e-10% change) large trace change predicted (1.72859e-09%) linmin: converged after 14 iterations. iteration 122: trace = 6.746817618289215 (1.72863e-09% change) linmin: converged after 3 iterations. iteration 123: trace = 6.746817618281161 (1.19375e-10% change) large trace change predicted (1.20177e-09%) linmin: converged after 16 iterations. iteration 124: trace = 6.746817618200087 (1.20166e-09% change) linmin: converged after 9 iterations. iteration 125: trace = 6.746817618177744 (3.31164e-10% change) linmin: converged after 4 iterations. iteration 126: trace = 6.746817618167946 (1.45217e-10% change) large trace change predicted (3.13359e-10%) linmin: converged after 4 iterations. iteration 127: trace = 6.746817618146796 (3.13484e-10% change) linmin: converged after 6 iterations. iteration 128: trace = 6.746817618140189 (9.793e-11% change) Finished solving for bands 1 to 8 after 128 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.114855, 0.645572, 0.76138, 0.812, 0.980404, 1.09879, 1.19545, 1.21663 elapsed time for k point: 2.0954196453094482 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.92581502574614 (0.213092% change) linmin: converged after 5 iterations. iteration 2: trace = 6.912656752418563 (0.190169% change) linmin: converged after 3 iterations. iteration 3: trace = 6.904258638364859 (0.121563% change) linmin: converged after 5 iterations. iteration 4: trace = 6.896682789668491 (0.109787% change) linmin: converged after 3 iterations. iteration 5: trace = 6.893477877862257 (0.0464811% change) linmin: converged after 4 iterations. iteration 6: trace = 6.890274896339845 (0.0464747% change) linmin: converged after 4 iterations. iteration 7: trace = 6.887461995324111 (0.0408326% change) linmin: converged after 4 iterations. iteration 8: trace = 6.882497417445159 (0.0721074% change) linmin: converged after 4 iterations. iteration 9: trace = 6.879290998133135 (0.0465989% change) linmin: converged after 4 iterations. iteration 10: trace = 6.87515703483149 (0.0601109% change) linmin: converged after 4 iterations. iteration 11: trace = 6.872798320641213 (0.0343137% change) linmin: converged after 3 iterations. iteration 12: trace = 6.87079511737543 (0.0291511% change) linmin: converged after 4 iterations. iteration 13: trace = 6.868395963806289 (0.0349242% change) linmin: converged after 4 iterations. iteration 14: trace = 6.866214495456365 (0.031766% change) linmin: converged after 3 iterations. iteration 15: trace = 6.864840150682317 (0.0200181% change) linmin: converged after 4 iterations. iteration 16: trace = 6.864049121413993 (0.0115236% change) large trace change predicted (0.0249858%) linmin: converged after 3 iterations. iteration 17: trace = 6.862313339694824 (0.0252912% change) linmin: converged after 3 iterations. iteration 18: trace = 6.86071531017638 (0.0232897% change) linmin: converged after 3 iterations. iteration 19: trace = 6.859968891948039 (0.0108802% change) linmin: converged after 3 iterations. iteration 20: trace = 6.859392016239349 (0.00840966% change) linmin: converged after 3 iterations. iteration 21: trace = 6.858827557004687 (0.00822934% change) linmin: converged after 3 iterations. iteration 22: trace = 6.858164444724556 (0.00966848% change) linmin: converged after 3 iterations. iteration 23: trace = 6.857406189622758 (0.0110569% change) linmin: converged after 3 iterations. iteration 24: trace = 6.856832832479488 (0.00836149% change) linmin: converged after 3 iterations. iteration 25: trace = 6.856491599672236 (0.00497666% change) linmin: converged after 3 iterations. iteration 26: trace = 6.856252211307021 (0.00349147% change) linmin: converged after 4 iterations. iteration 27: trace = 6.85604890536524 (0.00296531% change) linmin: converged after 3 iterations. iteration 28: trace = 6.85580039724432 (0.00362472% change) linmin: converged after 4 iterations. iteration 29: trace = 6.855651416584701 (0.00217308% change) linmin: converged after 3 iterations. iteration 30: trace = 6.855512446357521 (0.00202711% change) linmin: converged after 3 iterations. iteration 31: trace = 6.855355720070142 (0.00228616% change) linmin: converged after 3 iterations. iteration 32: trace = 6.8552309657734 (0.00181982% change) linmin: converged after 3 iterations. iteration 33: trace = 6.855155363181422 (0.00110285% change) linmin: converged after 5 iterations. iteration 34: trace = 6.85509492554011 (0.000881642% change) linmin: converged after 3 iterations. iteration 35: trace = 6.855025221371903 (0.00101683% change) linmin: converged after 3 iterations. iteration 36: trace = 6.85491769603445 (0.00156857% change) linmin: converged after 3 iterations. iteration 37: trace = 6.854865491719153 (0.000761563% change) linmin: converged after 4 iterations. iteration 38: trace = 6.854810990725683 (0.000795073% change) linmin: converged after 4 iterations. iteration 39: trace = 6.854754435107441 (0.000825053% change) linmin: converged after 10 iterations. iteration 40: trace = 6.854698867696504 (0.000810644% change) linmin: converged after 4 iterations. iteration 41: trace = 6.854636658898816 (0.000907539% change) linmin: converged after 3 iterations. iteration 42: trace = 6.854585365608967 (0.000748303% change) linmin: converged after 4 iterations. iteration 43: trace = 6.854557545784226 (0.000405858% change) linmin: converged after 5 iterations. iteration 44: trace = 6.854534990862361 (0.000329051% change) linmin: converged after 3 iterations. iteration 45: trace = 6.854507852685699 (0.000395916% change) linmin: converged after 4 iterations. iteration 46: trace = 6.854474003947337 (0.000493818% change) linmin: converged after 3 iterations. iteration 47: trace = 6.854448915491218 (0.000366016% change) linmin: converged after 4 iterations. iteration 48: trace = 6.854430744047363 (0.000265105% change) linmin: converged after 4 iterations. iteration 49: trace = 6.854409555176652 (0.000309127% change) linmin: converged after 4 iterations. iteration 50: trace = 6.854386819161746 (0.0003317% change) linmin: converged after 5 iterations. iteration 51: trace = 6.854372357623641 (0.000210982% change) linmin: converged after 3 iterations. iteration 52: trace = 6.854363722385902 (0.000125982% change) linmin: converged after 3 iterations. iteration 53: trace = 6.85435594129114 (0.00011352% change) linmin: converged after 3 iterations. iteration 54: trace = 6.854348218695009 (0.000112667% change) linmin: converged after 4 iterations. iteration 55: trace = 6.854341815259017 (9.34216e-05% change) linmin: converged after 4 iterations. iteration 56: trace = 6.854336867324831 (7.21869e-05% change) linmin: converged after 7 iterations. iteration 57: trace = 6.854332981498541 (5.66915e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 6.854328856665723 (6.01785e-05% change) linmin: converged after 4 iterations. iteration 59: trace = 6.854325493442246 (4.90672e-05% change) linmin: converged after 2 iterations. iteration 60: trace = 6.854320731519824 (6.94733e-05% change) linmin: converged after 2 iterations. iteration 61: trace = 6.854317900705871 (4.12997e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 6.854316466773919 (2.09201e-05% change) linmin: converged after 4 iterations. iteration 63: trace = 6.85431481239672 (2.41363e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 6.85431270826444 (3.06979e-05% change) linmin: converged after 5 iterations. iteration 65: trace = 6.854310570416509 (3.11898e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 6.854309275780929 (1.88879e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 6.854307864141887 (2.05949e-05% change) linmin: converged after 4 iterations. iteration 68: trace = 6.854306225913813 (2.39007e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 6.854304757658852 (2.14209e-05% change) resetting CG direction... linmin: converged after 8 iterations. iteration 70: trace = 6.85430429187312 (6.79552e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.85430398089932 (4.53691e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 6.85430370706186 (3.99512e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.854303306299524 (5.84687e-06% change) linmin: converged after 4 iterations. iteration 74: trace = 6.854303028493369 (4.05302e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.854302857062447 (2.50107e-06% change) linmin: converged after 2 iterations. iteration 76: trace = 6.854302716435527 (2.05166e-06% change) linmin: converged after 4 iterations. iteration 77: trace = 6.854302589354041 (1.85404e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.85430242201743 (2.44134e-06% change) linmin: converged after 2 iterations. iteration 79: trace = 6.85430217869035 (3.54999e-06% change) linmin: converged after 8 iterations. iteration 80: trace = 6.854302043190064 (1.97686e-06% change) linmin: converged after 5 iterations. iteration 81: trace = 6.854301959886927 (1.21534e-06% change) linmin: converged after 6 iterations. iteration 82: trace = 6.854301838208348 (1.77521e-06% change) linmin: converged after 3 iterations. iteration 83: trace = 6.854301701158527 (1.99947e-06% change) linmin: converged after 6 iterations. iteration 84: trace = 6.854301574156579 (1.85288e-06% change) linmin: converged after 7 iterations. iteration 85: trace = 6.854301492754348 (1.18761e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 6.854301369194012 (1.80267e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 6.85430120610236 (2.37941e-06% change) linmin: converged after 12 iterations. iteration 88: trace = 6.854301115058822 (1.32827e-06% change) linmin: converged after 9 iterations. iteration 89: trace = 6.854301061414596 (7.82636e-07% change) linmin: converged after 2 iterations. iteration 90: trace = 6.854301010589635 (7.41505e-07% change) linmin: converged after 2 iterations. iteration 91: trace = 6.854300954170183 (8.23125e-07% change) linmin: converged after 3 iterations. iteration 92: trace = 6.854300910077867 (6.4328e-07% change) linmin: converged after 4 iterations. iteration 93: trace = 6.854300884308203 (3.75963e-07% change) linmin: converged after 2 iterations. iteration 94: trace = 6.854300873284739 (1.60826e-07% change) linmin: converged after 4 iterations. iteration 95: trace = 6.85430086333202 (1.45204e-07% change) linmin: converged after 5 iterations. iteration 96: trace = 6.854300852296817 (1.60997e-07% change) linmin: converged after 3 iterations. iteration 97: trace = 6.854300845287354 (1.02264e-07% change) linmin: converged after 4 iterations. iteration 98: trace = 6.854300839717083 (8.12668e-08% change) linmin: converged after 6 iterations. iteration 99: trace = 6.854300833160471 (9.56569e-08% change) linmin: converged after 16 iterations. iteration 100: trace = 6.854300824987822 (1.19234e-07% change) linmin: converged after 6 iterations. iteration 101: trace = 6.854300821480943 (5.11632e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.854300819423289 (3.00199e-08% change) linmin: converged after 2 iterations. iteration 103: trace = 6.854300816198829 (4.70429e-08% change) linmin: converged after 3 iterations. iteration 104: trace = 6.854300810980863 (7.61269e-08% change) linmin: converged after 3 iterations. iteration 105: trace = 6.854300805513465 (7.97659e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 6.854300800845535 (6.81022e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 6.854300798711169 (3.11391e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 6.854300795838702 (4.19075e-08% change) large trace change predicted (8.58006e-08%) linmin: converged after 6 iterations. iteration 109: trace = 6.854300789957652 (8.58009e-08% change) linmin: converged after 7 iterations. iteration 110: trace = 6.854300784477594 (7.99507e-08% change) linmin: converged after 4 iterations. iteration 111: trace = 6.854300782565788 (2.78921e-08% change) linmin: converged after 2 iterations. iteration 112: trace = 6.854300780881205 (2.4577e-08% change) linmin: converged after 4 iterations. iteration 113: trace = 6.854300777948647 (4.27842e-08% change) linmin: converged after 16 iterations. iteration 114: trace = 6.854300776023983 (2.80797e-08% change) linmin: converged after 4 iterations. iteration 115: trace = 6.854300775060231 (1.40605e-08% change) linmin: converged after 4 iterations. iteration 116: trace = 6.854300773897165 (1.69684e-08% change) linmin: converged after 16 iterations. iteration 117: trace = 6.854300773062548 (1.21765e-08% change) linmin: converged after 20 iterations. iteration 118: trace = 6.854300772494617 (8.28577e-09% change) linmin: converged after 14 iterations. iteration 119: trace = 6.854300772097409 (5.79501e-09% change) linmin: converged after 14 iterations. iteration 120: trace = 6.854300771871782 (3.29177e-09% change) linmin: converged after 4 iterations. iteration 121: trace = 6.854300771710115 (2.35862e-09% change) linmin: converged after 7 iterations. iteration 122: trace = 6.854300771422619 (4.19439e-09% change) linmin: converged after 4 iterations. iteration 123: trace = 6.854300771299851 (1.7911e-09% change) linmin: converged after 2 iterations. iteration 124: trace = 6.854300771230613 (1.01014e-09% change) linmin: converged after 4 iterations. iteration 125: trace = 6.854300771170127 (8.82451e-10% change) linmin: converged after 4 iterations. iteration 126: trace = 6.854300771102979 (9.79649e-10% change) linmin: converged after 4 iterations. iteration 127: trace = 6.854300771046892 (8.1827e-10% change) linmin: converged after 5 iterations. iteration 128: trace = 6.854300771013618 (4.85457e-10% change) linmin: converged after 3 iterations. iteration 129: trace = 6.854300770988901 (3.60594e-10% change) linmin: converged after 6 iterations. iteration 130: trace = 6.854300770973801 (2.20311e-10% change) linmin: converged after 3 iterations. iteration 131: trace = 6.854300770966272 (1.09832e-10% change) linmin: converged after 6 iterations. iteration 132: trace = 6.854300770959897 (9.30123e-11% change) Finished solving for bands 2 to 8 after 132 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 1.622936487197876 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037522 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.47328232348750127 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290512 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.6301802646818516 at Vector3<0.5, 0.5, 0.0> to 0.803736532303249 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7017932556977567 at Vector3<0.5, 0.5, 0.0> to 0.8863448167711334 at Vector3<0.5, 0.1, 0.0> Band 5 range: 0.9047498485808586 at Vector3<0.5, 0.1, 0.0> to 1.055746819300703 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.0077925606105824 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.181540374434176 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.1224242519757146 at Vector3<0.2, 0.0, 0.0> to 1.2351567679228954 at Vector3<0.3, 0.3, 0.0> Band 8 range: 1.2059728636717577 at Vector3<0.0, 0.0, 0.0> to 1.3135062523604832 at Vector3<0.30000000000000004, 0.0, 0.0> Gap from band 1 (0.4165291233037522) to band 2 (0.47328232348750127), 12.756230634794964% Gap from band 4 (0.8863448167711334) to band 5 (0.9047498485808586), 2.0551713056560494% total elapsed time for run: 35.08799076080322 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" Outputting /tmp/meepW1wGQn/test_run_te_with_mu_material-0-mu.h5... mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" ./tmp/meepW1wGQn/test_run_te_with_mu_material-0: 35.11s /tmp/meepW1wGQn/test_run_tm-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004740476608276367 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 14 iterations. iteration 1: trace = 13.34219610907303 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.48379557413322 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532083754 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674664316 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153594804 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393474956211678 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820096026 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110536303 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920469 (0.0351352% change) linmin: converged after 3 iterations. iteration 10: trace = 4.38118702415154 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064830987 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652840888 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327345709 (0.0364203% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477053556 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613449508 (0.000911426% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192653518 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731089843 (0.000124872% change) linmin: converged after 3 iterations. iteration 18: trace = 4.373723431189937 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977265803 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547637922 (9.82293e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986616656 (1.28271e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 4.373721450686048 (1.22534e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.373721224632492 (5.16845e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 4.373721180254356 (1.01465e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 4.373721172520825 (1.76818e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.373721170365686 (4.92747e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 4.373721169530476 (1.90961e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 4.373721169260167 (6.1803e-09% change) linmin: converged after 8 iterations. iteration 29: trace = 4.373721169187145 (1.66955e-09% change) linmin: converged after 19 iterations. iteration 30: trace = 4.373721169145734 (9.46821e-10% change) linmin: converged after 18 iterations. iteration 31: trace = 4.373721169067061 (1.79875e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 4.373721168966419 (2.30106e-09% change) linmin: converged after 12 iterations. iteration 33: trace = 4.373721168940552 (5.91426e-10% change) linmin: converged after 5 iterations. iteration 34: trace = 4.373721168933661 (1.57543e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.373721168927969 (1.30149e-10% change) linmin: converged after 9 iterations. iteration 36: trace = 4.373721168920051 (1.81038e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 4.373721168904351 (3.5897e-10% change) large trace change predicted (9.95509e-10%) linmin: converged after 3 iterations. iteration 38: trace = 4.3737211688608 (9.95741e-10% change) large trace change predicted (4.53669e-09%) linmin: converged after 5 iterations. iteration 39: trace = 4.373721168662383 (4.53656e-09% change) large trace change predicted (2.07083e-08%) linmin: converged after 6 iterations. iteration 40: trace = 4.373721167756685 (2.07077e-08% change) large trace change predicted (8.12187e-08%) linmin: converged after 4 iterations. iteration 41: trace = 4.373721164204445 (8.12178e-08% change) linmin: converged after 5 iterations. iteration 42: trace = 4.373721158320421 (1.34531e-07% change) linmin: converged after 8 iterations. iteration 43: trace = 4.373721154461297 (8.82344e-08% change) linmin: converged after 24 iterations. iteration 44: trace = 4.373721151304318 (7.21806e-08% change) large trace change predicted (2.03303e-07%) linmin: converged after 4 iterations. iteration 45: trace = 4.373721142412475 (2.03302e-07% change) large trace change predicted (4.92964e-07%) linmin: converged after 6 iterations. iteration 46: trace = 4.373721120855031 (4.92886e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 4.3737210779555 (9.80847e-07% change) large trace change predicted (2.05581e-06%) linmin: converged after 8 iterations. iteration 48: trace = 4.373720988593026 (2.04317e-06% change) linmin: converged after 6 iterations. iteration 49: trace = 4.373720903665617 (1.94177e-06% change) linmin: converged after 6 iterations. iteration 50: trace = 4.373720867144082 (8.35022e-07% change) linmin: converged after 11 iterations. iteration 51: trace = 4.373720856049324 (2.53669e-07% change) linmin: converged after 6 iterations. iteration 52: trace = 4.373720853595573 (5.61021e-08% change) linmin: converged after 7 iterations. iteration 53: trace = 4.37372085301453 (1.32849e-08% change) linmin: converged after 5 iterations. iteration 54: trace = 4.373720852593777 (9.62001e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851990546 (1.37922e-08% change) linmin: converged after 3 iterations. iteration 56: trace = 4.373720851521908 (1.07149e-08% change) linmin: converged after 2 iterations. iteration 57: trace = 4.373720851245654 (6.31622e-09% change) linmin: converged after 14 iterations. iteration 58: trace = 4.373720851095242 (3.439e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044036 (1.17077e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.373720851034436 (2.1948e-10% change) linmin: converged after 6 iterations. iteration 61: trace = 4.373720851032797 (3.7487e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.42113494873046875 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909591842702 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128648879343 (0.940191% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320139038853 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732191604669 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652248159 (0.0286931% change) linmin: converged after 4 iterations. iteration 6: trace = 4.29104241452735 (0.0106784% change) linmin: converged after 4 iterations. iteration 7: trace = 4.29090280857848 (0.00325348% change) linmin: converged after 5 iterations. iteration 8: trace = 4.290872119284602 (0.00071522% change) linmin: converged after 4 iterations. iteration 9: trace = 4.290863227292022 (0.000207231% change) linmin: converged after 6 iterations. iteration 10: trace = 4.290859496297353 (8.69521e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.2908580351137 (3.40534e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.290857390235212 (1.50291e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285456251 (2.44191e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271940894 (3.1498e-07% change) linmin: converged after 19 iterations. iteration 15: trace = 4.290857267535558 (1.02668e-07% change) linmin: converged after 29 iterations. iteration 16: trace = 4.290857264551959 (6.95339e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 4.290857263487744 (2.48019e-08% change) linmin: converged after 18 iterations. iteration 18: trace = 4.290857263235472 (5.87931e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.29085726315652 (1.84e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 4.29085726311545 (9.57137e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096146 (4.499e-10% change) linmin: converged after 8 iterations. iteration 22: trace = 4.290857263085607 (2.45618e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.290857263081671 (9.17187e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 elapsed time for k point: 0.20110201835632324 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.21308300777132 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336650383 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740781023 (0.0140324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.208361881259059 (0.00375102% change) linmin: converged after 5 iterations. iteration 5: trace = 4.208319555170433 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621553 (0.000236877% change) linmin: converged after 4 iterations. iteration 7: trace = 4.208308119593186 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493149 (3.56675e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.208307959679201 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47789e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.208307958537226 (2.35728e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.208307958520756 (3.91378e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.20830795851913 (3.86228e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 elapsed time for k point: 0.11597108840942383 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.15395001917757 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.15091918802937 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.150508696750681 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.150451660631718 (0.00137421% change) linmin: converged after 5 iterations. iteration 5: trace = 4.150445322388952 (0.000152712% change) linmin: converged after 4 iterations. iteration 6: trace = 4.150444374952515 (2.28273e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.150444119567913 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145891 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167718 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934402 (2.97153e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836718 (2.35359e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.150444015829235 (1.80292e-10% change) linmin: converged after 14 iterations. iteration 13: trace = 4.150444015828809 (1.02718e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 elapsed time for k point: 0.11585545539855957 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.123910812540129 (0.437379% change) linmin: converged after 4 iterations. iteration 2: trace = 4.120357431810882 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.119753435230956 (0.0146599% change) linmin: converged after 8 iterations. iteration 4: trace = 4.119635726773633 (0.00285721% change) linmin: converged after 8 iterations. iteration 5: trace = 4.119609536145729 (0.000635753% change) linmin: converged after 6 iterations. iteration 6: trace = 4.119601717815897 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494708 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308931 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.119598600539518 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763419 (4.31134e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.119598598629699 (3.24596e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.119598598622131 (1.8369e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.119598598621692 (1.06721e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 elapsed time for k point: 0.11586737632751465 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244646564 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107313 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166867 (0.0241823% change) linmin: converged after 4 iterations. iteration 4: trace = 4.110889360751742 (0.00728306% change) linmin: converged after 6 iterations. iteration 5: trace = 4.110807039964517 (0.00200253% change) linmin: converged after 5 iterations. iteration 6: trace = 4.110783674084839 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801953 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787367 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125229 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910483 (5.38766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.110777242738063 (4.19433e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.110777242727876 (2.47822e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.110777242725122 (6.69789e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 elapsed time for k point: 0.11569523811340332 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928675 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489971 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254175 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388634 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449422 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.099489966039661 (1.07569e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.099489964533703 (3.67353e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.099489964290493 (5.93269e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.099489964275825 (3.57807e-10% change) linmin: converged after 15 iterations. iteration 12: trace = 4.099489964274799 (2.50237e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 elapsed time for k point: 0.10758662223815918 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.085144174621296 (0.762403% change) linmin: converged after 5 iterations. iteration 2: trace = 4.08011930367582 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385524 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800633 (0.000941116% change) linmin: converged after 5 iterations. iteration 5: trace = 4.079453223619909 (5.87378e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.079452946245483 (6.7993e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 4.079452904344981 (1.02711e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.079452897007465 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879316 (2.76544e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.079452895806833 (1.77679e-09% change) linmin: converged after 7 iterations. iteration 11: trace = 4.079452895803481 (8.21675e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 elapsed time for k point: 0.09888339042663574 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550775 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231339 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 5 iterations. iteration 4: trace = 4.068777004347963 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591242 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.068759373276539 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.06875928297324 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104998 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.0387e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.068759276139258 (3.34845e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.068759276129624 (2.36782e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.068759276129138 (1.19406e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.10738372802734375 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.080410130891641 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235416 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111657 (0.0269206% change) linmin: converged after 5 iterations. iteration 4: trace = 4.075628903758917 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.075534314324658 (0.00232088% change) linmin: converged after 4 iterations. iteration 6: trace = 4.075527488473314 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.07552694979547 (1.83798e-08% change) linmin: converged after 13 iterations. iteration 11: trace = 4.075526949476012 (7.83843e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.07552694936935 (2.61714e-09% change) linmin: converged after 7 iterations. iteration 13: trace = 4.075526949350731 (4.56846e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.075526949349666 (2.61298e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.12452840805053711 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043799 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.105335792815674 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549485 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589768 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664414 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982814 (0.00206873% change) linmin: converged after 4 iterations. iteration 7: trace = 4.092151257465509 (0.00014336% change) linmin: converged after 4 iterations. iteration 8: trace = 4.092150666963196 (1.44301e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.092150601221076 (1.60654e-06% change) linmin: converged after 22 iterations. iteration 10: trace = 4.092150512656769 (2.16425e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.092150442817872 (1.70666e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.092150434447534 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678682 (1.87885e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.092150433621992 (1.38535e-09% change) linmin: converged after 2 iterations. iteration 15: trace = 4.092150433618253 (9.13757e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 elapsed time for k point: 0.13294005393981934 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496076692254 (1.11623% change) linmin: converged after 12 iterations. iteration 2: trace = 4.089161340421265 (0.908868% change) linmin: converged after 6 iterations. iteration 3: trace = 4.060628565810973 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416579832 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154643036 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139220281 (0.011194% change) linmin: converged after 4 iterations. iteration 7: trace = 4.046656969291856 (0.00153632% change) linmin: converged after 6 iterations. iteration 8: trace = 4.046652828279909 (0.000102332% change) linmin: converged after 23 iterations. iteration 9: trace = 4.046652402979373 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.046652262576779 (3.4696e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.046652203574181 (1.45806e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 4.046652185410185 (4.48865e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 4.0466521837883 (4.00797e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.04665218368306 (2.60067e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.046652183677346 (1.41195e-10% change) linmin: converged after 9 iterations. iteration 16: trace = 4.046652183676483 (2.13339e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 elapsed time for k point: 0.1415853500366211 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.05013577039516 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188808 (0.123031% change) linmin: converged after 5 iterations. iteration 3: trace = 4.044571128819183 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705374 (0.0011425% change) linmin: converged after 5 iterations. iteration 5: trace = 4.044514961032807 (0.000246226% change) linmin: converged after 5 iterations. iteration 6: trace = 4.044513397485699 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.044513255709429 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601185 (4.22999e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.044513236602914 (4.9407e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.044513236418497 (4.5597e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.044513236398144 (5.03215e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.044513236396849 (3.20178e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 elapsed time for k point: 0.10735678672790527 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.118867255840121 (0.847851% change) linmin: converged after 5 iterations. iteration 2: trace = 4.114002611070042 (0.118176% change) linmin: converged after 4 iterations. iteration 3: trace = 4.113487291394073 (0.0125268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.113430197532733 (0.00138798% change) linmin: converged after 5 iterations. iteration 5: trace = 4.113416441704805 (0.000334413% change) linmin: converged after 2 iterations. iteration 6: trace = 4.113415367601673 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030413 (2.34771e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.11341526085363 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902213 (2.31296e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.113415259769445 (3.22769e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.113415259756538 (3.13778e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.113415259755488 (2.5522e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 elapsed time for k point: 0.10715293884277344 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177002 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668812 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052034 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995954 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311717 (0.00157809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.240753129287402 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.240749691476934 (9.51e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.240749647343288 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492671 (1.14381e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.240749642080626 (9.71632e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034732 (1.08221e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.240749642029137 (1.31947e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.240749642028245 (2.10277e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 elapsed time for k point: 0.12443947792053223 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.40793968169065 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122196 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936333 (0.0965848% change) linmin: converged after 6 iterations. iteration 4: trace = 4.384518225127843 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382418 (0.0389704% change) linmin: converged after 5 iterations. iteration 6: trace = 4.380355369238088 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462298 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817305979 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398594 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837433 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003572 (0.00173939% change) linmin: converged after 4 iterations. iteration 12: trace = 4.373725631015398 (0.000243499% change) linmin: converged after 4 iterations. iteration 13: trace = 4.373723713248076 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.373723043717631 (1.5308e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373722430078841 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618411 (3.39437e-06% change) large trace change predicted (8.38718e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.37372191477277 (8.38749e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.373721775011841 (3.19547e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.373721750854249 (5.52335e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706705 (1.6342e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 4.373721741956118 (4.00251e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.373721741656313 (6.85468e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.373721741513538 (3.26438e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 4.373721741466469 (1.07618e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 4.373721741452099 (3.2857e-10% change) linmin: converged after 9 iterations. iteration 27: trace = 4.373721741432774 (4.41843e-10% change) large trace change predicted (8.94692e-10%) linmin: converged after 8 iterations. iteration 28: trace = 4.37372174139364 (8.94733e-10% change) linmin: converged after 7 iterations. iteration 29: trace = 4.373721741340023 (1.2259e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.373721741314144 (5.9169e-10% change) linmin: converged after 6 iterations. iteration 31: trace = 4.373721741304088 (2.29918e-10% change) large trace change predicted (8.84973e-10%) linmin: converged after 10 iterations. iteration 32: trace = 4.373721741265382 (8.84965e-10% change) large trace change predicted (1.78898e-09%) linmin: converged after 4 iterations. iteration 33: trace = 4.373721741187132 (1.7891e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 4.373721741036645 (3.4407e-09% change) large trace change predicted (3.16487e-08%) linmin: converged after 7 iterations. iteration 35: trace = 4.373721739652423 (3.16486e-08% change) large trace change predicted (1.81295e-07%) linmin: converged after 3 iterations. iteration 36: trace = 4.373721731723789 (1.81279e-07% change) large trace change predicted (7.4209e-07%) linmin: converged after 9 iterations. iteration 37: trace = 4.373721699299203 (7.4135e-07% change) large trace change predicted (1.81225e-06%) linmin: converged after 10 iterations. iteration 38: trace = 4.373721620597815 (1.79941e-06% change) large trace change predicted (3.99066e-06%) linmin: converged after 6 iterations. iteration 39: trace = 4.373721449768812 (3.9058e-06% change) linmin: converged after 17 iterations. iteration 40: trace = 4.373721351729983 (2.24154e-06% change) linmin: converged after 6 iterations. iteration 41: trace = 4.37372128953247 (1.42207e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 4.373721193138318 (2.20394e-06% change) linmin: converged after 4 iterations. iteration 43: trace = 4.373721123132209 (1.60061e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 4.373721025967869 (2.22155e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 4.373720919599757 (2.43198e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 4.373720871343368 (1.10333e-06% change) linmin: converged after 7 iterations. iteration 47: trace = 4.373720860391188 (2.50409e-07% change) linmin: converged after 6 iterations. iteration 48: trace = 4.373720857843555 (5.82486e-08% change) linmin: converged after 2 iterations. iteration 49: trace = 4.373720856559141 (2.93666e-08% change) linmin: converged after 4 iterations. iteration 50: trace = 4.373720854515799 (4.67186e-08% change) linmin: converged after 4 iterations. iteration 51: trace = 4.373720852663222 (4.2357e-08% change) linmin: converged after 8 iterations. iteration 52: trace = 4.373720851890384 (1.76701e-08% change) linmin: converged after 6 iterations. iteration 53: trace = 4.373720851693109 (4.51044e-09% change) linmin: converged after 6 iterations. iteration 54: trace = 4.373720851644425 (1.11312e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851632095 (2.81904e-10% change) linmin: converged after 4 iterations. iteration 56: trace = 4.37372085162029 (2.69902e-10% change) linmin: converged after 4 iterations. iteration 57: trace = 4.373720851604655 (3.57487e-10% change) linmin: converged after 4 iterations. iteration 58: trace = 4.373720851598128 (1.49237e-10% change) linmin: converged after 9 iterations. iteration 59: trace = 4.373720851594252 (8.86204e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 .elapsed time for k point: 0.40489888191223145 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537333 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4171142493246635 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370316 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654603 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977231 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542509 at Vector3<0.0, 0.0, 0.0> to 0.713395151642351 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.741310965706866 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571235 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251522 at Vector3<0.3, 0.3, 0.0> to 0.8783155473463851 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811313 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064022 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294802 at Vector3<0.5, 0.5, 0.0> to 1.082592384145084 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537333) to band 2 (0.4171142493246635), 39.01265395643903% Gap from band 4 (0.713395151642351) to band 5 (0.741310965706866), 3.838000504924469% total elapsed time for run: 2.548398733139038 done /tmp/meepW1wGQn/test_run_tm-0: 2.55s /tmp/meepW1wGQn/test_set_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004735708236694336 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.35947465896606445 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.028273105621338 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.22512102127075195 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20887303352355957 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.24165058135986328 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3771491050720215 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.2846639156341553 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.24184560775756836 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.2086021900177002 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.19958019256591797 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.19942355155944824 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.15752792358398438 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.1828474998474121 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.25031161308288574 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.292832612991333 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6348333358764648 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.099064350128174 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004340171813964844 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3578662872314453 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.027083158493042 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.2249431610107422 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20879554748535156 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.2416543960571289 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3766477108001709 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.2845761775970459 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.2418656349182129 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.208787202835083 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.1995372772216797 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.1994633674621582 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.1573019027709961 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.1828298568725586 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.25029659271240234 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.29274964332580566 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6339235305786133 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.0940258502960205 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004300594329833984 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3580477237701416 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.0275344848632812 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.22505807876586914 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20866012573242188 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.2415904998779297 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3765876293182373 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.28459692001342773 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.24183869361877441 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.20859360694885254 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.19953584671020508 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.199326753616333 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.1573781967163086 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.1827685832977295 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.25042724609375 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2928781509399414 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.6353700160980225 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.095770835876465 done /tmp/meepW1wGQn/test_set_eigenvectors-0: 15.29s /tmp/meepW1wGQn/test_sq_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.00477147102355957 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 16.67252686302908 (193.833% change) linmin: converged after 10 iterations. iteration 2: trace = 7.425605351690042 (76.7439% change) linmin: converged after 5 iterations. iteration 3: trace = 6.413529606638011 (14.6263% change) linmin: converged after 5 iterations. iteration 4: trace = 5.99787054299474 (6.69802% change) linmin: converged after 6 iterations. iteration 5: trace = 5.792242760915691 (3.48814% change) linmin: converged after 7 iterations. iteration 6: trace = 5.704204927742776 (1.53157% change) linmin: converged after 5 iterations. iteration 7: trace = 5.662063364719243 (0.74152% change) linmin: converged after 5 iterations. iteration 8: trace = 5.645383220804397 (0.295029% change) linmin: converged after 5 iterations. iteration 9: trace = 5.636808514863446 (0.152004% change) linmin: converged after 5 iterations. iteration 10: trace = 5.63238951095051 (0.0784262% change) linmin: converged after 4 iterations. iteration 11: trace = 5.630973803282031 (0.0251383% change) linmin: converged after 4 iterations. iteration 12: trace = 5.630304289828848 (0.0118905% change) linmin: converged after 4 iterations. iteration 13: trace = 5.629948267451534 (0.00632352% change) linmin: converged after 4 iterations. iteration 14: trace = 5.629707527279293 (0.00427616% change) linmin: converged after 8 iterations. iteration 15: trace = 5.62949414657744 (0.00379033% change) linmin: converged after 5 iterations. iteration 16: trace = 5.629334770616829 (0.00283113% change) linmin: converged after 5 iterations. iteration 17: trace = 5.629195179742654 (0.00247974% change) linmin: converged after 4 iterations. iteration 18: trace = 5.629089143355525 (0.0018837% change) linmin: converged after 8 iterations. iteration 19: trace = 5.629015210330333 (0.00131342% change) linmin: converged after 6 iterations. iteration 20: trace = 5.628955227215409 (0.00106561% change) linmin: converged after 5 iterations. iteration 21: trace = 5.628918234637245 (0.000657186% change) linmin: converged after 9 iterations. iteration 22: trace = 5.628892160265009 (0.000463223% change) linmin: converged after 5 iterations. iteration 23: trace = 5.628877918707045 (0.000253009% change) linmin: converged after 5 iterations. iteration 24: trace = 5.628870540675787 (0.000131075% change) linmin: converged after 5 iterations. iteration 25: trace = 5.628866521545716 (7.14021e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 5.628864944361951 (2.80196e-05% change) linmin: converged after 6 iterations. iteration 27: trace = 5.628864428335537 (9.1675e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.628864254010931 (3.09698e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 5.628864199205677 (9.73647e-07% change) linmin: converged after 10 iterations. iteration 30: trace = 5.628864180871615 (3.25715e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.628864174355655 (1.1576e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 5.628864171803157 (4.53466e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.62886417067802 (1.99887e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 5.628864170196683 (8.55124e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 5.628864169964605 (4.12299e-09% change) linmin: converged after 13 iterations. iteration 36: trace = 5.628864169778768 (3.3015e-09% change) linmin: converged after 2 iterations. iteration 37: trace = 5.628864169602497 (3.13156e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 5.628864169405935 (3.49203e-09% change) linmin: converged after 9 iterations. iteration 39: trace = 5.628864169253077 (2.71561e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 5.628864169153874 (1.76239e-09% change) linmin: converged after 2 iterations. iteration 41: trace = 5.628864169097573 (1.00021e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.628864169061668 (6.37882e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.628864169036887 (4.4025e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 5.628864169022886 (2.4874e-10% change) linmin: converged after 3 iterations. iteration 45: trace = 5.628864169016391 (1.15376e-10% change) linmin: converged after 3 iterations. iteration 46: trace = 5.628864169013077 (5.88714e-11% change) Finished solving for bands 2 to 8 after 46 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 elapsed time for k point: 0.31981992721557617 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.662598383807975 (0.236431% change) linmin: converged after 4 iterations. iteration 2: trace = 5.655498054238125 (0.125469% change) linmin: converged after 3 iterations. iteration 3: trace = 5.653351656916205 (0.0379596% change) linmin: converged after 3 iterations. iteration 4: trace = 5.652109656698234 (0.0219717% change) linmin: converged after 3 iterations. iteration 5: trace = 5.651455832958929 (0.0115685% change) linmin: converged after 3 iterations. iteration 6: trace = 5.650961670354666 (0.00874437% change) linmin: converged after 4 iterations. iteration 7: trace = 5.650673951221653 (0.00509164% change) linmin: converged after 4 iterations. iteration 8: trace = 5.650503338619154 (0.00301938% change) linmin: converged after 5 iterations. iteration 9: trace = 5.65043041771985 (0.00129053% change) linmin: converged after 4 iterations. iteration 10: trace = 5.650387262435861 (0.000763755% change) linmin: converged after 4 iterations. iteration 11: trace = 5.650369556589041 (0.000313357% change) linmin: converged after 5 iterations. iteration 12: trace = 5.650362805815342 (0.000119475% change) linmin: converged after 3 iterations. iteration 13: trace = 5.650360400669498 (4.25662e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.650359822551353 (1.02315e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.650359570380274 (4.46292e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.65035946072153 (1.94074e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 5.650359418358796 (7.49735e-07% change) linmin: converged after 22 iterations. iteration 18: trace = 5.650359402315023 (2.83943e-07% change) linmin: converged after 13 iterations. iteration 19: trace = 5.650359397610319 (8.32638e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.650359395697462 (3.38537e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.650359394584338 (1.97001e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.650359393286097 (2.29762e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.650359391538156 (3.0935e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 5.650359389901621 (2.89634e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 5.650359388475132 (2.5246e-08% change) linmin: converged after 11 iterations. iteration 26: trace = 5.650359386380128 (3.70774e-08% change) large trace change predicted (9.58005e-08%) linmin: converged after 10 iterations. iteration 27: trace = 5.650359380966894 (9.58033e-08% change) near maximum in trace linmin: converged after 19 iterations. iteration 28: trace = 5.650291290203094 (0.00120508% change) linmin: converged after 6 iterations. iteration 29: trace = 5.650291215153317 (1.32825e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.65029114084922 (1.31505e-06% change) linmin: converged after 7 iterations. iteration 31: trace = 5.650291067312467 (1.30147e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.650290994557309 (1.28764e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.650290922591795 (1.27366e-06% change) linmin: converged after 4 iterations. iteration 34: trace = 5.650290851418622 (1.25964e-06% change) linmin: converged after 16 iterations. iteration 35: trace = 5.650290781036176 (1.24564e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.65029071143917 (1.23174e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.650290642619386 (1.21799e-06% change) linmin: converged after 13 iterations. iteration 38: trace = 5.65029057456622 (1.20442e-06% change) linmin: converged after 6 iterations. iteration 39: trace = 5.650290507267171 (1.19107e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 5.650290440708257 (1.17797e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.650290374874372 (1.16514e-06% change) linmin: converged after 12 iterations. iteration 42: trace = 5.650290309713883 (1.15322e-06% change) linmin: converged after 4 iterations. iteration 43: trace = 5.65029024528168 (1.14033e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.650290181525142 (1.12838e-06% change) linmin: converged after 6 iterations. iteration 45: trace = 5.650290118427161 (1.11672e-06% change) linmin: converged after 7 iterations. iteration 46: trace = 5.650290055970547 (1.10537e-06% change) linmin: converged after 5 iterations. iteration 47: trace = 5.650289994138131 (1.09432e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.650289932912907 (1.08358e-06% change) linmin: converged after 4 iterations. iteration 49: trace = 5.65028987227808 (1.07313e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.65028981221706 (1.06297e-06% change) linmin: converged after 21 iterations. iteration 51: trace = 5.650289752713605 (1.0531e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.650289693732699 (1.04386e-06% change) linmin: converged after 4 iterations. iteration 53: trace = 5.650289635297045 (1.03421e-06% change) linmin: converged after 14 iterations. iteration 54: trace = 5.650289577372365 (1.02516e-06% change) linmin: converged after 9 iterations. iteration 55: trace = 5.65028951994391 (1.01638e-06% change) linmin: converged after 11 iterations. iteration 56: trace = 5.650289462997335 (1.00785e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.650289406518722 (9.9957e-07% change) linmin: converged after 10 iterations. iteration 58: trace = 5.650289350494511 (9.91528e-07% change) linmin: converged after 6 iterations. iteration 59: trace = 5.650289294911618 (9.83718e-07% change) linmin: converged after 5 iterations. iteration 60: trace = 5.650289239757313 (9.76132e-07% change) linmin: converged after 6 iterations. iteration 61: trace = 5.650289185019233 (9.68766e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 5.650289130685516 (9.61609e-07% change) linmin: converged after 5 iterations. iteration 63: trace = 5.650289076744559 (9.54658e-07% change) linmin: converged after 6 iterations. iteration 64: trace = 5.650289023185224 (9.47904e-07% change) linmin: converged after 9 iterations. iteration 65: trace = 5.650288969996657 (9.41342e-07% change) linmin: converged after 5 iterations. iteration 66: trace = 5.650288917162546 (9.35069e-07% change) linmin: converged after 6 iterations. iteration 67: trace = 5.650288864684493 (9.28768e-07% change) linmin: converged after 7 iterations. iteration 68: trace = 5.650288812546809 (9.22744e-07% change) linmin: converged after 7 iterations. iteration 69: trace = 5.65028876074002 (9.16887e-07% change) resetting CG direction... large trace change predicted (0.0219507%) linmin: converged after 4 iterations. iteration 70: trace = 5.649030373826667 (0.0222737% change) linmin: converged after 3 iterations. iteration 71: trace = 5.648291247412127 (0.013085% change) linmin: converged after 4 iterations. iteration 72: trace = 5.647952575896853 (0.00599618% change) linmin: converged after 4 iterations. iteration 73: trace = 5.647729966055205 (0.0039415% change) linmin: converged after 4 iterations. iteration 74: trace = 5.647486367400024 (0.00431331% change) linmin: converged after 4 iterations. iteration 75: trace = 5.647157550021343 (0.00582254% change) linmin: converged after 4 iterations. iteration 76: trace = 5.646835903807917 (0.00569588% change) linmin: converged after 4 iterations. iteration 77: trace = 5.646550346595625 (0.00505707% change) linmin: converged after 4 iterations. iteration 78: trace = 5.646220597548183 (0.00584% change) large trace change predicted (0.0119234%) linmin: converged after 4 iterations. iteration 79: trace = 5.645515013686435 (0.0124974% change) large trace change predicted (0.0250172%) linmin: converged after 4 iterations. iteration 80: trace = 5.644058541502975 (0.0258021% change) linmin: converged after 6 iterations. iteration 81: trace = 5.642272983851816 (0.0316411% change) linmin: converged after 6 iterations. iteration 82: trace = 5.640697728252353 (0.0279227% change) linmin: converged after 11 iterations. iteration 83: trace = 5.639844710932699 (0.0151237% change) linmin: converged after 4 iterations. iteration 84: trace = 5.639288235626794 (0.00986734% change) linmin: converged after 4 iterations. iteration 85: trace = 5.638902571056065 (0.00683912% change) linmin: converged after 3 iterations. iteration 86: trace = 5.638726933533922 (0.0031148% change) linmin: converged after 3 iterations. iteration 87: trace = 5.638638846351666 (0.00156219% change) linmin: converged after 3 iterations. iteration 88: trace = 5.638595357877993 (0.000771261% change) linmin: converged after 3 iterations. iteration 89: trace = 5.638570471229006 (0.000441364% change) linmin: converged after 3 iterations. iteration 90: trace = 5.63855584933384 (0.00025932% change) linmin: converged after 4 iterations. iteration 91: trace = 5.638546180907551 (0.00017147% change) linmin: converged after 4 iterations. iteration 92: trace = 5.638539553025705 (0.000117546% change) linmin: converged after 3 iterations. iteration 93: trace = 5.638535828721723 (6.60509e-05% change) linmin: converged after 5 iterations. iteration 94: trace = 5.638534027412137 (3.19464e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 5.638532912141449 (1.97794e-05% change) linmin: converged after 3 iterations. iteration 96: trace = 5.63853200318591 (1.61204e-05% change) linmin: converged after 3 iterations. iteration 97: trace = 5.638531065049337 (1.6638e-05% change) linmin: converged after 3 iterations. iteration 98: trace = 5.638530017991721 (1.85697e-05% change) linmin: converged after 3 iterations. iteration 99: trace = 5.638528490508524 (2.70901e-05% change) linmin: converged after 5 iterations. iteration 100: trace = 5.638526243035726 (3.98592e-05% change) linmin: converged after 5 iterations. iteration 101: trace = 5.638523961079759 (4.04708e-05% change) linmin: converged after 4 iterations. iteration 102: trace = 5.638521694572654 (4.01968e-05% change) linmin: converged after 12 iterations. iteration 103: trace = 5.638518646553307 (5.40571e-05% change) linmin: converged after 6 iterations. iteration 104: trace = 5.638516667940976 (3.5091e-05% change) linmin: converged after 4 iterations. iteration 105: trace = 5.638515787696788 (1.56113e-05% change) linmin: converged after 3 iterations. iteration 106: trace = 5.638515475379653 (5.539e-06% change) linmin: converged after 3 iterations. iteration 107: trace = 5.638515353380693 (2.16367e-06% change) linmin: converged after 5 iterations. iteration 108: trace = 5.638515290833682 (1.10928e-06% change) linmin: converged after 16 iterations. iteration 109: trace = 5.638515251343883 (7.00358e-07% change) linmin: converged after 17 iterations. iteration 110: trace = 5.638515230462242 (3.70339e-07% change) linmin: converged after 10 iterations. iteration 111: trace = 5.63851521895134 (2.04148e-07% change) linmin: converged after 3 iterations. iteration 112: trace = 5.638515214508956 (7.87864e-08% change) linmin: converged after 3 iterations. iteration 113: trace = 5.638515212736989 (3.14261e-08% change) linmin: converged after 4 iterations. iteration 114: trace = 5.638515211727492 (1.79036e-08% change) linmin: converged after 6 iterations. iteration 115: trace = 5.638515210929122 (1.41592e-08% change) linmin: converged after 14 iterations. iteration 116: trace = 5.638515210008705 (1.63237e-08% change) linmin: converged after 6 iterations. iteration 117: trace = 5.638515208997605 (1.7932e-08% change) linmin: converged after 3 iterations. iteration 118: trace = 5.63851520778169 (2.15644e-08% change) linmin: converged after 8 iterations. iteration 119: trace = 5.638515206504167 (2.26571e-08% change) linmin: converged after 4 iterations. iteration 120: trace = 5.6385152050277 (2.61854e-08% change) linmin: converged after 4 iterations. iteration 121: trace = 5.638515202922552 (3.73351e-08% change) linmin: converged after 4 iterations. iteration 122: trace = 5.638515200848208 (3.67888e-08% change) linmin: converged after 16 iterations. iteration 123: trace = 5.638515199082306 (3.13186e-08% change) linmin: converged after 5 iterations. iteration 124: trace = 5.638515198020041 (1.88394e-08% change) linmin: converged after 4 iterations. iteration 125: trace = 5.638515197264602 (1.33978e-08% change) linmin: converged after 4 iterations. iteration 126: trace = 5.638515196708285 (9.86637e-09% change) linmin: converged after 5 iterations. iteration 127: trace = 5.638515196250086 (8.12623e-09% change) linmin: converged after 15 iterations. iteration 128: trace = 5.638515195990355 (4.60637e-09% change) linmin: converged after 21 iterations. iteration 129: trace = 5.638515195870384 (2.12772e-09% change) linmin: converged after 7 iterations. iteration 130: trace = 5.638515195810631 (1.05973e-09% change) linmin: converged after 4 iterations. iteration 131: trace = 5.638515195782499 (4.98913e-10% change) linmin: converged after 4 iterations. iteration 132: trace = 5.6385151957696 (2.28782e-10% change) linmin: converged after 8 iterations. iteration 133: trace = 5.638515195763884 (1.01364e-10% change) linmin: converged after 4 iterations. iteration 134: trace = 5.638515195759897 (7.07107e-11% change) Finished solving for bands 1 to 8 after 134 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897998, 0.56021, 0.767785, 0.782438, 0.912603, 1.00889, 1.00949, 1.11586 elapsed time for k point: 1.1354131698608398 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.610243836751264 (0.416683% change) linmin: converged after 3 iterations. iteration 2: trace = 5.599604920347708 (0.189814% change) linmin: converged after 4 iterations. iteration 3: trace = 5.596604913884977 (0.0535897% change) linmin: converged after 3 iterations. iteration 4: trace = 5.595662117749169 (0.0168473% change) linmin: converged after 3 iterations. iteration 5: trace = 5.595313265093016 (0.00623454% change) linmin: converged after 3 iterations. iteration 6: trace = 5.595227399874799 (0.0015346% change) linmin: converged after 4 iterations. iteration 7: trace = 5.595198313937434 (0.000519836% change) linmin: converged after 4 iterations. iteration 8: trace = 5.595186325957428 (0.000214255% change) linmin: converged after 5 iterations. iteration 9: trace = 5.595182011685741 (7.71069e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.595180202269494 (3.23388e-05% change) linmin: converged after 7 iterations. iteration 11: trace = 5.595179604043342 (1.06918e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.595179391571545 (3.79741e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.595179311138204 (1.43755e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.595179285473795 (4.58688e-07% change) linmin: converged after 7 iterations. iteration 15: trace = 5.595179276623307 (1.58181e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.595179273689195 (5.244e-08% change) linmin: converged after 21 iterations. iteration 17: trace = 5.595179272904747 (1.40201e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.595179272581854 (5.77091e-09% change) linmin: converged after 13 iterations. iteration 19: trace = 5.595179272336571 (4.38383e-09% change) linmin: converged after 13 iterations. iteration 20: trace = 5.595179272188392 (2.64834e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.595179272063382 (2.23423e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.595179271964556 (1.76628e-09% change) linmin: converged after 15 iterations. iteration 23: trace = 5.595179271878056 (1.54597e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.595179271843311 (6.20975e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.595179271827017 (2.91224e-10% change) linmin: converged after 19 iterations. iteration 26: trace = 5.595179271819185 (1.39977e-10% change) linmin: converged after 7 iterations. iteration 27: trace = 5.595179271816556 (4.6987e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178853, 0.553301, 0.732522, 0.786672, 0.890463, 1.01386, 1.02078, 1.11301 elapsed time for k point: 0.2340247631072998 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.58927876941839 (0.288852% change) linmin: converged after 4 iterations. iteration 2: trace = 5.582217264358967 (0.12642% change) linmin: converged after 4 iterations. iteration 3: trace = 5.579630100758402 (0.0463573% change) linmin: converged after 4 iterations. iteration 4: trace = 5.578713954551271 (0.0164208% change) linmin: converged after 4 iterations. iteration 5: trace = 5.578208746315905 (0.00905641% change) linmin: converged after 4 iterations. iteration 6: trace = 5.578027303291604 (0.00325276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.577942072907746 (0.00152798% change) linmin: converged after 3 iterations. iteration 8: trace = 5.577913363825507 (0.000514691% change) linmin: converged after 3 iterations. iteration 9: trace = 5.577905893250971 (0.000133931% change) linmin: converged after 5 iterations. iteration 10: trace = 5.577903978777092 (3.43225e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.577903462384924 (9.25782e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.577903351821991 (1.98216e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.577903319845034 (5.73279e-07% change) linmin: converged after 12 iterations. iteration 14: trace = 5.577903310566403 (1.66346e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.577903307418647 (5.64326e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.57790330586164 (2.79138e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.577903305185308 (1.21252e-08% change) linmin: converged after 16 iterations. iteration 18: trace = 5.577903304857371 (5.87921e-09% change) linmin: converged after 8 iterations. iteration 19: trace = 5.57790330471606 (2.53341e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.577903304686386 (5.32009e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.577903304676376 (1.79454e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 5.577903304673051 (5.96004e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.266124, 0.534865, 0.689376, 0.79205, 0.872926, 1.0209, 1.04285, 1.10753 elapsed time for k point: 0.19125747680664062 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.607466984177863 (0.245114% change) linmin: converged after 5 iterations. iteration 2: trace = 5.600508098157823 (0.124177% change) linmin: converged after 4 iterations. iteration 3: trace = 5.597121607935891 (0.0604858% change) linmin: converged after 4 iterations. iteration 4: trace = 5.595549314419133 (0.0280951% change) linmin: converged after 4 iterations. iteration 5: trace = 5.594551452726611 (0.0178347% change) linmin: converged after 4 iterations. iteration 6: trace = 5.594215569329854 (0.00600394% change) linmin: converged after 4 iterations. iteration 7: trace = 5.594087068851718 (0.00229705% change) linmin: converged after 4 iterations. iteration 8: trace = 5.594049548640522 (0.000670714% change) linmin: converged after 3 iterations. iteration 9: trace = 5.594038609820707 (0.000195544% change) linmin: converged after 2 iterations. iteration 10: trace = 5.594035067085768 (6.33306e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.594033390558403 (2.99699e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.594032551741149 (1.49949e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.59403199918489 (9.8776e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.594031699982702 (5.3486e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 5.594031556072584 (2.57257e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.594031485788907 (1.2564e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.594031455144971 (5.47797e-07% change) linmin: converged after 20 iterations. iteration 18: trace = 5.594031432706864 (4.01108e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.594031422730716 (1.78336e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.594031418912038 (6.82634e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.594031417677416 (2.20703e-08% change) linmin: converged after 12 iterations. iteration 22: trace = 5.594031417255713 (7.53846e-09% change) linmin: converged after 23 iterations. iteration 23: trace = 5.594031417032641 (3.98768e-09% change) linmin: converged after 19 iterations. iteration 24: trace = 5.594031416919604 (2.02067e-09% change) linmin: converged after 13 iterations. iteration 25: trace = 5.594031416877145 (7.58996e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.594031416862824 (2.56021e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.594031416858384 (7.93704e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.349588, 0.49478, 0.658508, 0.796524, 0.862684, 1.02898, 1.07044, 1.10003 elapsed time for k point: 0.23374629020690918 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.658952488041858 (0.227165% change) linmin: converged after 5 iterations. iteration 2: trace = 5.651172639083518 (0.137573% change) linmin: converged after 5 iterations. iteration 3: trace = 5.646977452958692 (0.0742632% change) linmin: converged after 4 iterations. iteration 4: trace = 5.644684383782467 (0.0406153% change) linmin: converged after 4 iterations. iteration 5: trace = 5.643239756083203 (0.025596% change) linmin: converged after 4 iterations. iteration 6: trace = 5.642724507568927 (0.00913078% change) linmin: converged after 4 iterations. iteration 7: trace = 5.642475213065442 (0.00441808% change) linmin: converged after 4 iterations. iteration 8: trace = 5.642293858963799 (0.00321414% change) linmin: converged after 4 iterations. iteration 9: trace = 5.642022882956157 (0.0048027% change) large trace change predicted (0.0102229%) linmin: converged after 3 iterations. iteration 10: trace = 5.641446879090881 (0.0102097% change) linmin: converged after 4 iterations. iteration 11: trace = 5.64044009944714 (0.0178477% change) linmin: converged after 5 iterations. iteration 12: trace = 5.639322938646179 (0.0198082% change) linmin: converged after 4 iterations. iteration 13: trace = 5.638404375778705 (0.0162899% change) linmin: converged after 4 iterations. iteration 14: trace = 5.637799416718339 (0.0107298% change) linmin: converged after 3 iterations. iteration 15: trace = 5.637559421782736 (0.00425698% change) linmin: converged after 3 iterations. iteration 16: trace = 5.637473447569905 (0.00152504% change) linmin: converged after 3 iterations. iteration 17: trace = 5.637440210805591 (0.00058957% change) linmin: converged after 3 iterations. iteration 18: trace = 5.637423473771856 (0.000296891% change) linmin: converged after 3 iterations. iteration 19: trace = 5.637418827785604 (8.24133e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.637417051137849 (3.15153e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 5.637416175196384 (1.5538e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 5.637415738685668 (7.7431e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.637415488828054 (4.43213e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.63741535483237 (2.3769e-06% change) linmin: converged after 17 iterations. iteration 25: trace = 5.637415263728915 (1.61605e-06% change) linmin: converged after 29 iterations. iteration 26: trace = 5.637415208122747 (9.86377e-07% change) linmin: converged after 8 iterations. iteration 27: trace = 5.637415147804424 (1.06996e-06% change) large trace change predicted (2.89728e-06%) linmin: converged after 24 iterations. iteration 28: trace = 5.637414984466399 (2.89739e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.637414701467888 (5.02001e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.63741447920547 (3.94263e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.637414382457213 (1.71618e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.637414352166887 (5.37309e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 5.637414342883531 (1.64674e-07% change) linmin: converged after 5 iterations. iteration 34: trace = 5.637414340072352 (4.98665e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 5.637414339312818 (1.34731e-08% change) linmin: converged after 18 iterations. iteration 36: trace = 5.63741433891482 (7.05992e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.637414338639657 (4.88101e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 5.637414338456525 (3.24852e-09% change) linmin: converged after 6 iterations. iteration 39: trace = 5.637414338381642 (1.32833e-09% change) linmin: converged after 6 iterations. iteration 40: trace = 5.637414338347233 (6.10351e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 5.637414338318038 (5.17885e-10% change) linmin: converged after 15 iterations. iteration 42: trace = 5.637414338273373 (7.92307e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.637414338211554 (1.09657e-09% change) linmin: converged after 3 iterations. iteration 44: trace = 5.63741433811112 (1.78157e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.637414338017416 (1.66219e-09% change) linmin: converged after 5 iterations. iteration 46: trace = 5.63741433796205 (9.82108e-10% change) linmin: converged after 6 iterations. iteration 47: trace = 5.63741433794447 (3.1184e-10% change) linmin: converged after 18 iterations. iteration 48: trace = 5.637414337940063 (7.81766e-11% change) Finished solving for bands 1 to 8 after 48 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.413346, 0.444623, 0.648672, 0.798265, 0.859327, 1.03311, 1.0958, 1.09742 elapsed time for k point: 0.4116966724395752 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.588459961186452 (1.62524% change) linmin: converged after 5 iterations. iteration 2: trace = 5.538961403002258 (0.889668% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527070270366958 (0.214912% change) linmin: converged after 3 iterations. iteration 4: trace = 5.522342887672323 (0.085568% change) linmin: converged after 3 iterations. iteration 5: trace = 5.520392483602605 (0.0353247% change) linmin: converged after 4 iterations. iteration 6: trace = 5.519566528531784 (0.014963% change) linmin: converged after 4 iterations. iteration 7: trace = 5.519192001280118 (0.00678568% change) linmin: converged after 4 iterations. iteration 8: trace = 5.519052775913236 (0.0025226% change) linmin: converged after 4 iterations. iteration 9: trace = 5.518995901845783 (0.00103051% change) linmin: converged after 6 iterations. iteration 10: trace = 5.518965434921006 (0.000552039% change) linmin: converged after 4 iterations. iteration 11: trace = 5.518951031752446 (0.000260976% change) linmin: converged after 4 iterations. iteration 12: trace = 5.518944394189362 (0.000120269% change) linmin: converged after 4 iterations. iteration 13: trace = 5.518942193535108 (3.98746e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.518941629485297 (1.02203e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.518941443520259 (3.36958e-06% change) linmin: converged after 11 iterations. iteration 16: trace = 5.518941398225219 (8.2072e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 5.518941383071668 (2.74574e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.518941376509134 (1.18909e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.518941374239301 (4.11281e-08% change) linmin: converged after 6 iterations. iteration 20: trace = 5.51894137297842 (2.28464e-08% change) linmin: converged after 20 iterations. iteration 21: trace = 5.518941372520707 (8.29348e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.518941372298849 (4.01996e-09% change) linmin: converged after 17 iterations. iteration 23: trace = 5.518941372163161 (2.45859e-09% change) linmin: converged after 7 iterations. iteration 24: trace = 5.518941372061828 (1.83608e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 5.518941371930642 (2.37703e-09% change) linmin: converged after 13 iterations. iteration 26: trace = 5.518941371759521 (3.10061e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.518941371614902 (2.6204e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 5.518941371516165 (1.78906e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.518941371440126 (1.37779e-09% change) linmin: converged after 17 iterations. iteration 30: trace = 5.518941371369823 (1.27385e-09% change) linmin: converged after 7 iterations. iteration 31: trace = 5.518941371330352 (7.15185e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.518941371316812 (2.45342e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.518941371312551 (7.71994e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.424298, 0.448983, 0.644549, 0.802551, 0.854853, 0.98984, 1.05831, 1.11679 elapsed time for k point: 0.2841377258300781 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.358965069226954 (0.494938% change) linmin: converged after 5 iterations. iteration 2: trace = 5.347410133099714 (0.215852% change) linmin: converged after 4 iterations. iteration 3: trace = 5.344694532957908 (0.0507964% change) linmin: converged after 4 iterations. iteration 4: trace = 5.343549261594821 (0.0214305% change) linmin: converged after 5 iterations. iteration 5: trace = 5.342917059986636 (0.0118318% change) linmin: converged after 5 iterations. iteration 6: trace = 5.342682889492282 (0.00438292% change) linmin: converged after 4 iterations. iteration 7: trace = 5.342576733772613 (0.00198696% change) linmin: converged after 4 iterations. iteration 8: trace = 5.342540203537808 (0.000683759% change) linmin: converged after 4 iterations. iteration 9: trace = 5.342529450593217 (0.00020127% change) linmin: converged after 4 iterations. iteration 10: trace = 5.342525583052333 (7.23916e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.342524762095742 (1.53665e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.342524528418487 (4.37391e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.34252447592385 (9.82581e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.342524468019505 (1.47951e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.342524466444298 (2.94843e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.342524466019547 (7.95038e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.342524465855408 (3.07233e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.342524465750495 (1.96373e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.342524465692874 (1.07854e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.342524465655595 (6.97772e-10% change) linmin: converged after 12 iterations. iteration 21: trace = 5.342524465621592 (6.3646e-10% change) linmin: converged after 14 iterations. iteration 22: trace = 5.34252446559567 (4.85208e-10% change) linmin: converged after 7 iterations. iteration 23: trace = 5.342524465572255 (4.3826e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.342524465547458 (4.64161e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.34252446552807 (3.62884e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.342524465517732 (1.93511e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.342524465514542 (5.97159e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.455354, 0.461161, 0.63323, 0.814782, 0.834251, 0.934558, 1.01274, 1.12367 elapsed time for k point: 0.23316454887390137 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.205843851365794 (0.260823% change) linmin: converged after 3 iterations. iteration 2: trace = 5.201250999979914 (0.0882639% change) linmin: converged after 4 iterations. iteration 3: trace = 5.200149842129127 (0.0211733% change) linmin: converged after 4 iterations. iteration 4: trace = 5.199802675803587 (0.00667631% change) linmin: converged after 5 iterations. iteration 5: trace = 5.199636452166112 (0.00319678% change) linmin: converged after 3 iterations. iteration 6: trace = 5.199588777496302 (0.000916889% change) linmin: converged after 3 iterations. iteration 7: trace = 5.199568860655122 (0.000383047% change) linmin: converged after 5 iterations. iteration 8: trace = 5.19955996060209 (0.000171169% change) linmin: converged after 4 iterations. iteration 9: trace = 5.199557315513285 (5.08714e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.199556443338554 (1.6774e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.199556282069322 (3.1016e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.199556247771243 (6.59635e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.199556240158943 (1.46403e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.199556238716335 (2.77448e-08% change) linmin: converged after 17 iterations. iteration 15: trace = 5.199556238427387 (5.55716e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.1995562383399 (1.68259e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.199556238303392 (7.02148e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.199556238269377 (6.54182e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.199556238207707 (1.18606e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.199556238136204 (1.37517e-09% change) linmin: converged after 7 iterations. iteration 21: trace = 5.199556238088181 (9.23596e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 5.199556238072937 (2.93192e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.199556238067975 (9.5419e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.478427, 0.501912, 0.61745, 0.784489, 0.83371, 0.906541, 0.967734, 1.12636 elapsed time for k point: 0.19940829277038574 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.113888636560581 (0.193819% change) linmin: converged after 3 iterations. iteration 2: trace = 5.111058653694107 (0.0553545% change) linmin: converged after 4 iterations. iteration 3: trace = 5.110360041818502 (0.0136696% change) linmin: converged after 4 iterations. iteration 4: trace = 5.110178387935687 (0.00355468% change) linmin: converged after 3 iterations. iteration 5: trace = 5.11011032894116 (0.00133184% change) linmin: converged after 3 iterations. iteration 6: trace = 5.110094373675702 (0.00031223% change) linmin: converged after 4 iterations. iteration 7: trace = 5.110090048386203 (8.46421e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.110087943959177 (4.11818e-05% change) linmin: converged after 6 iterations. iteration 9: trace = 5.110087209667766 (1.43694e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.110086882135971 (6.40951e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.110086801162785 (1.58458e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.110086778559401 (4.42329e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.110086772372884 (1.21065e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.110086770914098 (2.85472e-08% change) linmin: converged after 27 iterations. iteration 15: trace = 5.110086770602329 (6.10104e-09% change) linmin: converged after 13 iterations. iteration 16: trace = 5.110086770517028 (1.66928e-09% change) linmin: converged after 6 iterations. iteration 17: trace = 5.110086770480939 (7.06238e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.1100867704383 (8.34404e-10% change) large trace change predicted (2.1347e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.110086770329218 (2.13463e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.110086770238316 (1.77888e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.110086770200718 (7.3575e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 5.110086770192781 (1.55316e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.110086770190953 (3.57872e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.495605, 0.556867, 0.601739, 0.720584, 0.858432, 0.897772, 0.926611, 1.12762 elapsed time for k point: 0.19997119903564453 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 5.082968734457014 (0.170848% change) linmin: converged after 4 iterations. iteration 2: trace = 5.080632009848824 (0.0459822% change) linmin: converged after 4 iterations. iteration 3: trace = 5.080034162833803 (0.0117679% change) linmin: converged after 4 iterations. iteration 4: trace = 5.07988906720843 (0.00285623% change) linmin: converged after 5 iterations. iteration 5: trace = 5.079840786284366 (0.000950437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.079830362273214 (0.000205204% change) linmin: converged after 2 iterations. iteration 7: trace = 5.079828547056517 (3.57338e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.079827969475186 (1.13701e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 5.079827856733456 (2.2194e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 5.07982780588346 (1.00102e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.079827785437717 (4.02489e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.0798277757082 (1.91532e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.079827771842992 (7.60893e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 5.079827770756291 (2.13925e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.079827770533067 (4.39432e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 5.07982777046622 (1.31591e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.079827770421272 (8.84852e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 5.079827770346471 (1.4725e-09% change) large trace change predicted (3.34423e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.07982777017659 (3.34423e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.07982777009836 (1.54001e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 5.079827770077137 (4.1779e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.079827770073005 (8.13375e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.503606, 0.594344, 0.594357, 0.679389, 0.883665, 0.895782, 0.895787, 1.12801 elapsed time for k point: 0.19060492515563965 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.146430386812675 (0.331875% change) linmin: converged after 4 iterations. iteration 2: trace = 5.141638543638186 (0.0931534% change) linmin: converged after 4 iterations. iteration 3: trace = 5.140336824320568 (0.0253204% change) linmin: converged after 4 iterations. iteration 4: trace = 5.139958644400245 (0.00735737% change) linmin: converged after 4 iterations. iteration 5: trace = 5.13982307944287 (0.00263751% change) linmin: converged after 4 iterations. iteration 6: trace = 5.139792533516841 (0.000594301% change) linmin: converged after 4 iterations. iteration 7: trace = 5.13978717670438 (0.000104222% change) linmin: converged after 5 iterations. iteration 8: trace = 5.139785473947311 (3.31289e-05% change) linmin: converged after 7 iterations. iteration 9: trace = 5.13978511446722 (6.99407e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 5.139784968056222 (2.84858e-06% change) linmin: converged after 25 iterations. iteration 11: trace = 5.139784924164505 (8.5396e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 5.139784914516126 (1.8772e-07% change) linmin: converged after 6 iterations. iteration 13: trace = 5.13978491215069 (4.60221e-08% change) linmin: converged after 23 iterations. iteration 14: trace = 5.139784911632525 (1.00815e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.139784911523804 (2.11528e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.139784911497794 (5.06041e-10% change) linmin: converged after 7 iterations. iteration 17: trace = 5.139784911491644 (1.19667e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.139784911490275 (2.66292e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.474671, 0.549917, 0.608032, 0.745035, 0.848355, 0.895854, 0.945891, 1.12708 elapsed time for k point: 0.1580667495727539 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.321113856603128 (0.391941% change) linmin: converged after 5 iterations. iteration 2: trace = 5.312735434594934 (0.15758% change) linmin: converged after 4 iterations. iteration 3: trace = 5.309860483627224 (0.054129% change) linmin: converged after 4 iterations. iteration 4: trace = 5.308654602537595 (0.0227128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.308110104170934 (0.0102573% change) linmin: converged after 4 iterations. iteration 6: trace = 5.307980354200671 (0.0024444% change) linmin: converged after 4 iterations. iteration 7: trace = 5.307946157744181 (0.000644248% change) linmin: converged after 6 iterations. iteration 8: trace = 5.307931944059658 (0.000267782% change) linmin: converged after 4 iterations. iteration 9: trace = 5.307927410039047 (8.54198e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.307925220166289 (4.12567e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.307924508322328 (1.3411e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.307924276765974 (4.36247e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.307924196866908 (1.50528e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.307924180430673 (3.09655e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.307924176022245 (8.30537e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.307924174763162 (2.37208e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.307924174428121 (6.3121e-09% change) linmin: converged after 13 iterations. iteration 18: trace = 5.30792417435111 (1.45086e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.307924174333359 (3.34427e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.307924174329599 (7.08478e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.373254, 0.543225, 0.646251, 0.817389, 0.830457, 0.896516, 1.0176, 1.12198 elapsed time for k point: 0.17426538467407227 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.565278284572952 (0.649197% change) linmin: converged after 5 iterations. iteration 2: trace = 5.539308670185537 (0.467728% change) linmin: converged after 4 iterations. iteration 3: trace = 5.52774092801596 (0.209048% change) linmin: converged after 4 iterations. iteration 4: trace = 5.52119231461837 (0.118538% change) linmin: converged after 4 iterations. iteration 5: trace = 5.517705504988498 (0.0631731% change) linmin: converged after 4 iterations. iteration 6: trace = 5.516689861471296 (0.0184087% change) linmin: converged after 4 iterations. iteration 7: trace = 5.516225756130797 (0.0084131% change) linmin: converged after 3 iterations. iteration 8: trace = 5.51596827840977 (0.00466775% change) linmin: converged after 4 iterations. iteration 9: trace = 5.515821918920346 (0.00265341% change) linmin: converged after 3 iterations. iteration 10: trace = 5.515731715125273 (0.00163538% change) linmin: converged after 3 iterations. iteration 11: trace = 5.515703319343597 (0.000514816% change) linmin: converged after 3 iterations. iteration 12: trace = 5.515694777907223 (0.000154857% change) linmin: converged after 4 iterations. iteration 13: trace = 5.515691983062545 (5.06708e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.515691259672616 (1.31151e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.515690942868777 (5.74368e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.515690845589654 (1.76368e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.515690808935379 (6.64545e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.515690790954527 (3.25995e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.515690782728358 (1.49141e-07% change) linmin: converged after 7 iterations. iteration 20: trace = 5.515690779523212 (5.81096e-08% change) linmin: converged after 24 iterations. iteration 21: trace = 5.51569077844038 (1.96318e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.515690778101884 (6.13695e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.515690777997047 (1.90072e-09% change) linmin: converged after 10 iterations. iteration 24: trace = 5.515690777965379 (5.74128e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.51569077795835 (1.27437e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.515690777956152 (3.98543e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252369, 0.551073, 0.700804, 0.797552, 0.899586, 0.90339, 1.08791, 1.10099 elapsed time for k point: 0.22510433197021484 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.699370390344393 (1.24468% change) linmin: converged after 5 iterations. iteration 2: trace = 5.6476272710043 (0.912014% change) linmin: converged after 6 iterations. iteration 3: trace = 5.632522083731532 (0.267819% change) linmin: converged after 4 iterations. iteration 4: trace = 5.625529518821063 (0.124223% change) linmin: converged after 4 iterations. iteration 5: trace = 5.622573009119741 (0.052569% change) linmin: converged after 3 iterations. iteration 6: trace = 5.621751214744835 (0.0146171% change) linmin: converged after 3 iterations. iteration 7: trace = 5.621415490821824 (0.00597205% change) linmin: converged after 8 iterations. iteration 8: trace = 5.621208187043692 (0.00368782% change) linmin: converged after 4 iterations. iteration 9: trace = 5.621026602501049 (0.0032304% change) linmin: converged after 5 iterations. iteration 10: trace = 5.620814125079034 (0.00378012% change) linmin: converged after 4 iterations. iteration 11: trace = 5.620629887434784 (0.00327783% change) linmin: converged after 3 iterations. iteration 12: trace = 5.620459427764554 (0.0030328% change) linmin: converged after 5 iterations. iteration 13: trace = 5.620367874562542 (0.00162894% change) linmin: converged after 3 iterations. iteration 14: trace = 5.62033140203609 (0.000648937% change) linmin: converged after 3 iterations. iteration 15: trace = 5.620316079246226 (0.000272632% change) linmin: converged after 4 iterations. iteration 16: trace = 5.620311039970238 (8.96618e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 5.620309265159991 (3.15785e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 5.620308520927541 (1.32418e-05% change) linmin: converged after 6 iterations. iteration 19: trace = 5.620308198031707 (5.74516e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 5.620308061371257 (2.43155e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.620308008163803 (9.467e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.620307991488325 (2.967e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 5.620307984132482 (1.3088e-07% change) linmin: converged after 24 iterations. iteration 24: trace = 5.620307981732093 (4.27092e-08% change) linmin: converged after 12 iterations. iteration 25: trace = 5.620307979991271 (3.09738e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.620307977674718 (4.12175e-08% change) linmin: converged after 16 iterations. iteration 27: trace = 5.620307974742838 (5.21658e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.620307972553096 (3.89612e-08% change) linmin: converged after 24 iterations. iteration 29: trace = 5.620307971583541 (1.72509e-08% change) linmin: converged after 10 iterations. iteration 30: trace = 5.620307971162815 (7.48581e-09% change) linmin: converged after 16 iterations. iteration 31: trace = 5.620307970956899 (3.66379e-09% change) linmin: converged after 14 iterations. iteration 32: trace = 5.620307970850902 (1.88596e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 5.620307970806842 (7.8394e-10% change) linmin: converged after 5 iterations. iteration 34: trace = 5.620307970792951 (2.47159e-10% change) linmin: converged after 20 iterations. iteration 35: trace = 5.620307970788176 (8.49728e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.12694, 0.558854, 0.755651, 0.785047, 0.909884, 0.968813, 1.04814, 1.11332 elapsed time for k point: 0.30175042152404785 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.721397683446345 (0.88116% change) linmin: converged after 5 iterations. iteration 2: trace = 5.690132175109674 (0.547963% change) linmin: converged after 5 iterations. iteration 3: trace = 5.679949561602589 (0.179112% change) linmin: converged after 5 iterations. iteration 4: trace = 5.674005700182402 (0.104701% change) linmin: converged after 5 iterations. iteration 5: trace = 5.670491569909207 (0.061953% change) linmin: converged after 4 iterations. iteration 6: trace = 5.668987199256924 (0.0265333% change) linmin: converged after 4 iterations. iteration 7: trace = 5.668194726503483 (0.0139801% change) linmin: converged after 4 iterations. iteration 8: trace = 5.667868425634271 (0.00575686% change) linmin: converged after 5 iterations. iteration 9: trace = 5.667594186191975 (0.00483861% change) linmin: converged after 4 iterations. iteration 10: trace = 5.667311953687014 (0.00497988% change) large trace change predicted (0.0130659%) linmin: converged after 4 iterations. iteration 11: trace = 5.66657747788859 (0.0129607% change) large trace change predicted (0.253568%) linmin: converged after 10 iterations. iteration 12: trace = 5.662184718098059 (0.0775506% change) linmin: converged after 5 iterations. iteration 13: trace = 5.659157953634271 (0.0534701% change) linmin: converged after 6 iterations. iteration 14: trace = 5.656543771232556 (0.0462045% change) linmin: converged after 5 iterations. iteration 15: trace = 5.653314443427379 (0.0571064% change) linmin: converged after 6 iterations. iteration 16: trace = 5.648626313413661 (0.0829615% change) linmin: converged after 5 iterations. iteration 17: trace = 5.643821363366462 (0.0851002% change) linmin: converged after 7 iterations. iteration 18: trace = 5.638869397625301 (0.0877799% change) linmin: converged after 6 iterations. iteration 19: trace = 5.635889317544961 (0.0528629% change) linmin: converged after 7 iterations. iteration 20: trace = 5.633934895001531 (0.0346842% change) linmin: converged after 4 iterations. iteration 21: trace = 5.632971468101223 (0.0171019% change) linmin: converged after 4 iterations. iteration 22: trace = 5.632161076531155 (0.0143876% change) linmin: converged after 4 iterations. iteration 23: trace = 5.631516240220146 (0.0114498% change) linmin: converged after 4 iterations. iteration 24: trace = 5.630961940343681 (0.0098433% change) linmin: converged after 4 iterations. iteration 25: trace = 5.630499098062813 (0.00821993% change) linmin: converged after 4 iterations. iteration 26: trace = 5.630122619620636 (0.00668664% change) linmin: converged after 3 iterations. iteration 27: trace = 5.629867621854369 (0.00452927% change) linmin: converged after 3 iterations. iteration 28: trace = 5.62972005122086 (0.00262124% change) linmin: converged after 3 iterations. iteration 29: trace = 5.629605777064934 (0.00202986% change) linmin: converged after 3 iterations. iteration 30: trace = 5.629504361183479 (0.00180149% change) linmin: converged after 3 iterations. iteration 31: trace = 5.629394147466007 (0.00195781% change) linmin: converged after 4 iterations. iteration 32: trace = 5.629290226405856 (0.00184606% change) linmin: converged after 4 iterations. iteration 33: trace = 5.629198024991822 (0.0016379% change) linmin: converged after 3 iterations. iteration 34: trace = 5.629133733963952 (0.00114211% change) linmin: converged after 3 iterations. iteration 35: trace = 5.629086222971003 (0.000844023% change) linmin: converged after 3 iterations. iteration 36: trace = 5.62904586756999 (0.000716911% change) linmin: converged after 3 iterations. iteration 37: trace = 5.629010408060016 (0.00062994% change) linmin: converged after 3 iterations. iteration 38: trace = 5.628979004572206 (0.000557888% change) linmin: converged after 3 iterations. iteration 39: trace = 5.628952468543358 (0.000471419% change) linmin: converged after 3 iterations. iteration 40: trace = 5.628932212763044 (0.000359851% change) linmin: converged after 3 iterations. iteration 41: trace = 5.628917703762646 (0.000257758% change) linmin: converged after 4 iterations. iteration 42: trace = 5.628904770133422 (0.000229771% change) linmin: converged after 4 iterations. iteration 43: trace = 5.628894295239012 (0.000186091% change) linmin: converged after 4 iterations. iteration 44: trace = 5.628885548976845 (0.000155382% change) linmin: converged after 4 iterations. iteration 45: trace = 5.628880125204351 (9.63561e-05% change) linmin: converged after 4 iterations. iteration 46: trace = 5.628876480396202 (6.47519e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 5.628873855273789 (4.66367e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 5.628871914588389 (3.44773e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 5.628870173455814 (3.09322e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 5.628868872043145 (2.31203e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 5.628867792579682 (1.91773e-05% change) linmin: converged after 6 iterations. iteration 52: trace = 5.628867067350895 (1.28841e-05% change) linmin: converged after 4 iterations. iteration 53: trace = 5.628866472395078 (1.05697e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 5.628866038937654 (7.70062e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.628865733630171 (5.42396e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.628865472838847 (4.63311e-06% change) linmin: converged after 3 iterations. iteration 57: trace = 5.62886525705548 (3.83351e-06% change) linmin: converged after 2 iterations. iteration 58: trace = 5.628865067351803 (3.37019e-06% change) linmin: converged after 3 iterations. iteration 59: trace = 5.628864923865872 (2.54911e-06% change) linmin: converged after 4 iterations. iteration 60: trace = 5.62886478738924 (2.42459e-06% change) linmin: converged after 4 iterations. iteration 61: trace = 5.628864676742375 (1.9657e-06% change) linmin: converged after 2 iterations. iteration 62: trace = 5.628864577628953 (1.76081e-06% change) linmin: converged after 5 iterations. iteration 63: trace = 5.628864491681065 (1.52691e-06% change) linmin: converged after 2 iterations. iteration 64: trace = 5.628864423563031 (1.21016e-06% change) linmin: converged after 2 iterations. iteration 65: trace = 5.628864369042977 (9.6858e-07% change) linmin: converged after 3 iterations. iteration 66: trace = 5.628864328355927 (7.22829e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 5.628864294908643 (5.9421e-07% change) linmin: converged after 2 iterations. iteration 68: trace = 5.628864268959035 (4.6101e-07% change) linmin: converged after 3 iterations. iteration 69: trace = 5.628864245245058 (4.21292e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 5.628864210818119 (6.11614e-07% change) linmin: converged after 2 iterations. iteration 71: trace = 5.628864185805241 (4.44368e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 5.628864176497586 (1.65356e-07% change) linmin: converged after 4 iterations. iteration 73: trace = 5.628864172330103 (7.40377e-08% change) linmin: converged after 2 iterations. iteration 74: trace = 5.6288641706118 (3.05266e-08% change) linmin: converged after 19 iterations. iteration 75: trace = 5.62886417012579 (8.63425e-09% change) linmin: converged after 10 iterations. iteration 76: trace = 5.628864169899611 (4.0182e-09% change) linmin: converged after 12 iterations. iteration 77: trace = 5.628864169746349 (2.72279e-09% change) linmin: converged after 7 iterations. iteration 78: trace = 5.628864169565717 (3.20902e-09% change) linmin: converged after 9 iterations. iteration 79: trace = 5.628864169372585 (3.4311e-09% change) linmin: converged after 2 iterations. iteration 80: trace = 5.628864169215253 (2.79509e-09% change) linmin: converged after 4 iterations. iteration 81: trace = 5.628864169115537 (1.77152e-09% change) linmin: converged after 9 iterations. iteration 82: trace = 5.62886416905697 (1.04047e-09% change) linmin: converged after 6 iterations. iteration 83: trace = 5.628864169025806 (5.53654e-10% change) linmin: converged after 4 iterations. iteration 84: trace = 5.628864169015138 (1.89522e-10% change) linmin: converged after 4 iterations. iteration 85: trace = 5.628864169011919 (5.71831e-11% change) Finished solving for bands 2 to 8 after 85 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 elapsed time for k point: 0.5822784900665283 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219027 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4446229134706741 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519601 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5943566394470328 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911954 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6793887413076379 at Vector3<0.5, 0.5, 0.0> to 0.8173893719542903 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8304573822339181 at Vector3<0.3, 0.3, 0.0> to 0.9243716830585599 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8957817684117528 at Vector3<0.5, 0.5, 0.0> to 1.033110413920046 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8957868745330794 at Vector3<0.5, 0.5, 0.0> to 1.095802149222106 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.097416809585408 at Vector3<0.5, 0.0, 0.0> to 1.128012764811996 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5943440245519601) to band 3 (0.5943566394470328), 0.0021224679105015963% Gap from band 4 (0.8173893719542903) to band 5 (0.8304573822339181), 1.5860710647290235% Gap from band 7 (1.095802149222106) to band 8 (1.097416809585408), 0.14724114587993167% total elapsed time for run: 5.0807414054870605 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0042264461517333984 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 13.65344660078476 (194.937% change) linmin: converged after 7 iterations. iteration 2: trace = 5.609537790902682 (83.5167% change) linmin: converged after 6 iterations. iteration 3: trace = 4.870968737369697 (14.0941% change) linmin: converged after 6 iterations. iteration 4: trace = 4.592889108403783 (5.87667% change) linmin: converged after 5 iterations. iteration 5: trace = 4.517375695716684 (1.65777% change) linmin: converged after 5 iterations. iteration 6: trace = 4.501941736249229 (0.342242% change) linmin: converged after 5 iterations. iteration 7: trace = 4.49723232429431 (0.104663% change) linmin: converged after 5 iterations. iteration 8: trace = 4.494705098196539 (0.0562109% change) linmin: converged after 5 iterations. iteration 9: trace = 4.493491980362641 (0.0269936% change) linmin: converged after 3 iterations. iteration 10: trace = 4.491945491445939 (0.0344221% change) linmin: converged after 5 iterations. iteration 11: trace = 4.488917948171112 (0.0674221% change) linmin: converged after 5 iterations. iteration 12: trace = 4.485988456176246 (0.0652818% change) linmin: converged after 5 iterations. iteration 13: trace = 4.48419093755881 (0.0400777% change) linmin: converged after 3 iterations. iteration 14: trace = 4.48386913487521 (0.00717664% change) linmin: converged after 4 iterations. iteration 15: trace = 4.483819386025639 (0.00110951% change) linmin: converged after 5 iterations. iteration 16: trace = 4.483805975020277 (0.000299098% change) linmin: converged after 5 iterations. iteration 17: trace = 4.483801141715881 (0.000107795% change) linmin: converged after 5 iterations. iteration 18: trace = 4.483800147423112 (2.21752e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.483799826914435 (7.14815e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 4.48379948983839 (7.51764e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.483798967852828 (1.16416e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 4.483798525221848 (9.87179e-06% change) linmin: converged after 6 iterations. iteration 23: trace = 4.48379833744719 (4.18785e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 4.483798287889879 (1.10525e-06% change) linmin: converged after 14 iterations. iteration 25: trace = 4.483798277711949 (2.26993e-07% change) linmin: converged after 3 iterations. iteration 26: trace = 4.483798275622588 (4.6598e-08% change) linmin: converged after 8 iterations. iteration 27: trace = 4.483798275082746 (1.20398e-08% change) linmin: converged after 5 iterations. iteration 28: trace = 4.483798274908848 (3.87837e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.483798274857408 (1.14724e-09% change) linmin: converged after 8 iterations. iteration 30: trace = 4.483798274835536 (4.87807e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 4.48379827479503 (9.03392e-10% change) linmin: converged after 18 iterations. iteration 32: trace = 4.48379827473036 (1.44229e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 4.483798274703611 (5.96576e-10% change) linmin: converged after 2 iterations. iteration 34: trace = 4.483798274697111 (1.44959e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 4.483798274693339 (8.41272e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 elapsed time for k point: 0.24356460571289062 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.471175093609314 (1.08128% change) linmin: converged after 4 iterations. iteration 2: trace = 4.432523988758222 (0.868203% change) linmin: converged after 5 iterations. iteration 3: trace = 4.41341631616575 (0.43201% change) linmin: converged after 4 iterations. iteration 4: trace = 4.404296019505376 (0.206863% change) linmin: converged after 5 iterations. iteration 5: trace = 4.401461350057588 (0.0643822% change) linmin: converged after 5 iterations. iteration 6: trace = 4.399788733735033 (0.0380086% change) linmin: converged after 5 iterations. iteration 7: trace = 4.398929457685997 (0.0195318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.39845875367385 (0.010701% change) linmin: converged after 4 iterations. iteration 9: trace = 4.398236171484449 (0.00506059% change) linmin: converged after 4 iterations. iteration 10: trace = 4.398175740998249 (0.00137398% change) linmin: converged after 4 iterations. iteration 11: trace = 4.398161708582727 (0.000319051% change) linmin: converged after 5 iterations. iteration 12: trace = 4.398157649223626 (9.22968e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 4.398156557280719 (2.48273e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.398156022880025 (1.21506e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.398155752356145 (6.15085e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 4.398155622499114 (2.95253e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.398155576368091 (1.04887e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.398155552776387 (5.364e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 4.39815554173411 (2.51066e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 4.398155536009758 (1.30153e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.398155534105951 (4.32865e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.398155533748284 (8.1322e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 4.398155533692948 (1.25817e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 4.398155533670931 (5.00597e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 4.398155533656853 (3.2008e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 4.398155533649997 (1.5588e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.398155533647453 (5.78366e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0651416, 0.525004, 0.561885, 0.586307, 0.823536, 0.867346, 0.954632, 1.05688 elapsed time for k point: 0.23277997970581055 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.319158064838143 (0.507573% change) linmin: converged after 4 iterations. iteration 2: trace = 4.315195172037654 (0.0917936% change) linmin: converged after 4 iterations. iteration 3: trace = 4.314652488862843 (0.0125769% change) linmin: converged after 4 iterations. iteration 4: trace = 4.314511296930475 (0.00327244% change) linmin: converged after 5 iterations. iteration 5: trace = 4.31447537681953 (0.000832545% change) linmin: converged after 5 iterations. iteration 6: trace = 4.314467154448444 (0.000190577% change) linmin: converged after 2 iterations. iteration 7: trace = 4.314465990301329 (2.69824e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.314465863908677 (2.92951e-06% change) linmin: converged after 10 iterations. iteration 9: trace = 4.314465856457112 (1.72711e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.314465855768221 (1.5967e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.31446585572084 (1.09818e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.314465855716326 (1.04639e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.314465855715584 (1.71894e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.127665, 0.49365, 0.563323, 0.617312, 0.822737, 0.86353, 0.924306, 1.03882 elapsed time for k point: 0.11536383628845215 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.259813230869041 (0.437307% change) linmin: converged after 4 iterations. iteration 2: trace = 4.256808525762708 (0.070561% change) linmin: converged after 4 iterations. iteration 3: trace = 4.256424318461065 (0.00902612% change) linmin: converged after 4 iterations. iteration 4: trace = 4.256370493922878 (0.00126456% change) linmin: converged after 5 iterations. iteration 5: trace = 4.256364774302128 (0.000134378% change) linmin: converged after 2 iterations. iteration 6: trace = 4.25636406221879 (1.67298e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.256363946820414 (2.7112e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.256363898709569 (1.13033e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.256363889801441 (2.0929e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.256363888602306 (2.81728e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.256363888506428 (2.25258e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.256363888498839 (1.78288e-10% change) linmin: converged after 13 iterations. iteration 13: trace = 4.256363888498332 (1.19151e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184047, 0.461592, 0.565122, 0.651397, 0.810839, 0.858984, 0.892949, 1.03589 elapsed time for k point: 0.11543679237365723 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.230445167891602 (0.428208% change) linmin: converged after 4 iterations. iteration 2: trace = 4.226884659314514 (0.0841994% change) linmin: converged after 4 iterations. iteration 3: trace = 4.226277772317789 (0.0143588% change) linmin: converged after 4 iterations. iteration 4: trace = 4.22614266922581 (0.00319679% change) linmin: converged after 5 iterations. iteration 5: trace = 4.22610893020437 (0.000798344% change) linmin: converged after 5 iterations. iteration 6: trace = 4.226098815419117 (0.000239341% change) linmin: converged after 4 iterations. iteration 7: trace = 4.226095681906933 (7.41467e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.226095353849789 (7.76265e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.226095326529167 (6.46474e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.226095324571846 (4.63151e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.226095324437821 (3.17135e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.226095324430021 (1.84588e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.22609532442957 (1.06554e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.227778, 0.433361, 0.566596, 0.689045, 0.778792, 0.855425, 0.879398, 1.03874 elapsed time for k point: 0.11518073081970215 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.22459043659771 (0.46166% change) linmin: converged after 5 iterations. iteration 2: trace = 4.219402634957929 (0.122876% change) linmin: converged after 4 iterations. iteration 3: trace = 4.218303323951759 (0.0260571% change) linmin: converged after 19 iterations. iteration 4: trace = 4.21791299683966 (0.00925361% change) linmin: converged after 8 iterations. iteration 5: trace = 4.217806962656038 (0.00251393% change) linmin: converged after 13 iterations. iteration 6: trace = 4.217779234764536 (0.000657403% change) linmin: converged after 4 iterations. iteration 7: trace = 4.217772706280895 (0.000154785% change) linmin: converged after 2 iterations. iteration 8: trace = 4.217772221251976 (1.14996e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.217772182111425 (9.27991e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.217772179564767 (6.03792e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.217772179377822 (4.43231e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.217772179362668 (3.59292e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.217772179355184 (1.77435e-10% change) linmin: converged after 2 iterations. iteration 14: trace = 4.217772179352384 (6.63959e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245809, 0.420657, 0.567163, 0.720092, 0.747203, 0.85409, 0.877012, 1.0408 elapsed time for k point: 0.12398076057434082 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.216167442451169 (0.906425% change) linmin: converged after 5 iterations. iteration 2: trace = 4.207075518579895 (0.215877% change) linmin: converged after 4 iterations. iteration 3: trace = 4.20556011872906 (0.0360268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.205437925259359 (0.00290556% change) linmin: converged after 5 iterations. iteration 5: trace = 4.205424978514318 (0.000307858% change) linmin: converged after 4 iterations. iteration 6: trace = 4.205423872193343 (2.6307e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.205423830220988 (9.98053e-07% change) linmin: converged after 32 iterations. iteration 8: trace = 4.205423828175204 (4.86463e-08% change) linmin: converged after 13 iterations. iteration 9: trace = 4.205423828042201 (3.16265e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.205423828029003 (3.1382e-10% change) linmin: converged after 3 iterations. iteration 11: trace = 4.2054238280274 (3.81213e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249299, 0.427308, 0.560221, 0.718025, 0.756122, 0.855013, 0.877106, 1.02917 elapsed time for k point: 0.09904718399047852 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.18851164357674 (0.767217% change) linmin: converged after 5 iterations. iteration 2: trace = 4.183271740703075 (0.12518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.182635593295251 (0.0152081% change) linmin: converged after 4 iterations. iteration 4: trace = 4.182595255887838 (0.000964406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.182592616911325 (6.30943e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.182592321790139 (7.05594e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 4.182592286855638 (8.35236e-07% change) linmin: converged after 4 iterations. iteration 8: trace = 4.182592281925406 (1.17875e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.182592281109061 (1.95177e-08% change) linmin: converged after 6 iterations. iteration 10: trace = 4.18259228103248 (1.83093e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.182592281023939 (2.04218e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.182592281022644 (3.09608e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258693, 0.445541, 0.543385, 0.711698, 0.77935, 0.858136, 0.877357, 1.00092 elapsed time for k point: 0.10685181617736816 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.17224802192194 (0.635399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168646425845195 (0.0863599% change) linmin: converged after 4 iterations. iteration 3: trace = 4.167978693502354 (0.0160192% change) linmin: converged after 4 iterations. iteration 4: trace = 4.167833298187499 (0.00348845% change) linmin: converged after 5 iterations. iteration 5: trace = 4.167813086647446 (0.000484942% change) linmin: converged after 5 iterations. iteration 6: trace = 4.167811349625672 (4.16771e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.16781124760813 (2.44775e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.167811240546712 (1.69427e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.167811239437253 (2.66197e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.167811239290018 (3.53267e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.167811239280089 (2.38208e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.167811239279438 (1.56419e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270963, 0.470322, 0.524053, 0.701396, 0.810963, 0.864394, 0.877683, 0.965108 elapsed time for k point: 0.10675859451293945 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.175020794659227 (0.559983% change) linmin: converged after 5 iterations. iteration 2: trace = 4.171453968416326 (0.085469% change) linmin: converged after 5 iterations. iteration 3: trace = 4.1698386333984 (0.038731% change) linmin: converged after 5 iterations. iteration 4: trace = 4.169126573577483 (0.0170779% change) linmin: converged after 4 iterations. iteration 5: trace = 4.169030186733769 (0.00231195% change) linmin: converged after 4 iterations. iteration 6: trace = 4.169023804109909 (0.000153096% change) linmin: converged after 5 iterations. iteration 7: trace = 4.169023362478125 (1.05932e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.169023324272549 (9.16415e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.169023320812347 (8.29979e-08% change) linmin: converged after 23 iterations. iteration 10: trace = 4.169023319376683 (3.44365e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.16902331880724 (1.36589e-08% change) linmin: converged after 8 iterations. iteration 12: trace = 4.16902331868502 (2.93163e-09% change) linmin: converged after 7 iterations. iteration 13: trace = 4.16902331866882 (3.88568e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.169023318668041 (1.86838e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281614, 0.493207, 0.508823, 0.689961, 0.846785, 0.874595, 0.878068, 0.926581 elapsed time for k point: 0.12410187721252441 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.196748230144101 (0.499327% change) linmin: converged after 5 iterations. iteration 2: trace = 4.191391085981672 (0.127731% change) linmin: converged after 7 iterations. iteration 3: trace = 4.184065231779247 (0.174936% change) linmin: converged after 5 iterations. iteration 4: trace = 4.179418151111649 (0.111128% change) linmin: converged after 4 iterations. iteration 5: trace = 4.178708162121001 (0.0169892% change) linmin: converged after 4 iterations. iteration 6: trace = 4.178675276778256 (0.000786977% change) linmin: converged after 5 iterations. iteration 7: trace = 4.178673354488491 (4.60024e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.178673127808469 (5.42469e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.178673067930242 (1.43295e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.178672983680848 (2.01618e-06% change) linmin: converged after 12 iterations. iteration 11: trace = 4.178672966328829 (4.15252e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.178672965170099 (2.77296e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.178672965096586 (1.75924e-09% change) linmin: converged after 5 iterations. iteration 14: trace = 4.178672965089366 (1.72782e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 4.178672965088627 (1.76842e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285906, 0.502981, 0.502983, 0.684476, 0.874359, 0.883317, 0.883317, 0.892993 elapsed time for k point: 0.1321239471435547 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.215590647524031 (1.05654% change) linmin: converged after 9 iterations. iteration 2: trace = 4.183207287460688 (0.771143% change) linmin: converged after 6 iterations. iteration 3: trace = 4.156607860598889 (0.63789% change) linmin: converged after 5 iterations. iteration 4: trace = 4.145125801933593 (0.276618% change) linmin: converged after 5 iterations. iteration 5: trace = 4.141661343321156 (0.083614% change) linmin: converged after 4 iterations. iteration 6: trace = 4.141092875796172 (0.0137265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.141018445194813 (0.00179738% change) linmin: converged after 4 iterations. iteration 8: trace = 4.141013513514382 (0.000119093% change) linmin: converged after 4 iterations. iteration 9: trace = 4.141012954787878 (1.34925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.141012717733227 (5.72456e-06% change) linmin: converged after 14 iterations. iteration 11: trace = 4.141012607970374 (2.65063e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.141012579996674 (6.75528e-07% change) linmin: converged after 25 iterations. iteration 13: trace = 4.141012578178464 (4.39074e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.141012578052825 (3.03402e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.141012578041207 (2.80566e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 4.141012578036993 (1.01751e-10% change) linmin: converged after 5 iterations. iteration 17: trace = 4.141012578035549 (3.4875e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.276089, 0.491352, 0.508683, 0.69258, 0.839723, 0.856431, 0.907219, 0.907347 elapsed time for k point: 0.14938020706176758 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.147564043486952 (0.875199% change) linmin: converged after 5 iterations. iteration 2: trace = 4.142071403504868 (0.132518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.141407784545628 (0.0160227% change) linmin: converged after 4 iterations. iteration 4: trace = 4.141348425305278 (0.00143332% change) linmin: converged after 4 iterations. iteration 5: trace = 4.141332888571219 (0.000375162% change) linmin: converged after 5 iterations. iteration 6: trace = 4.141330631750845 (5.4495e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.141330428051608 (4.91869e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.141330407855831 (4.87664e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.141330405897514 (4.72871e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.141330405721697 (4.24542e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.14133040570125 (4.93724e-10% change) linmin: converged after 15 iterations. iteration 12: trace = 4.141330405700029 (2.94892e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240239, 0.47923, 0.523499, 0.685362, 0.829266, 0.840451, 0.910791, 0.941595 elapsed time for k point: 0.10687637329101562 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.21918399878927 (0.838948% change) linmin: converged after 5 iterations. iteration 2: trace = 4.214112239631161 (0.120279% change) linmin: converged after 4 iterations. iteration 3: trace = 4.213587255840628 (0.0124585% change) linmin: converged after 4 iterations. iteration 4: trace = 4.2135339830728 (0.00126432% change) linmin: converged after 5 iterations. iteration 5: trace = 4.213522375060029 (0.000275494% change) linmin: converged after 2 iterations. iteration 6: trace = 4.2135214530443 (2.18823e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.213521383766771 (1.64417e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.213521376642287 (1.69086e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.21352137603991 (1.42963e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.213521375952432 (2.07612e-09% change) linmin: converged after 5 iterations. iteration 11: trace = 4.213521375942173 (2.43486e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.213521375941405 (1.82125e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.17524, 0.488533, 0.541561, 0.64751, 0.83002, 0.850443, 0.922657, 0.983925 elapsed time for k point: 0.10686993598937988 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.354935285252168 (0.903179% change) linmin: converged after 5 iterations. iteration 2: trace = 4.347005534771339 (0.182252% change) linmin: converged after 4 iterations. iteration 3: trace = 4.345758802079403 (0.0286844% change) linmin: converged after 4 iterations. iteration 4: trace = 4.345492824185594 (0.00612059% change) linmin: converged after 4 iterations. iteration 5: trace = 4.345439182323273 (0.00123443% change) linmin: converged after 5 iterations. iteration 6: trace = 4.34542885900748 (0.000237567% change) linmin: converged after 5 iterations. iteration 7: trace = 4.345426500208689 (5.42823e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.345426131439355 (8.48638e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.345426090356746 (9.45422e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.345426086357085 (9.2043e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.34542608605445 (6.96443e-09% change) linmin: converged after 6 iterations. iteration 12: trace = 4.345426086022098 (7.44525e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.345426086018987 (7.15787e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0915259, 0.516393, 0.555924, 0.601211, 0.824561, 0.86529, 0.948412, 1.03526 elapsed time for k point: 0.11526131629943848 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.518149969222226 (1.13355% change) linmin: converged after 5 iterations. iteration 2: trace = 4.499734133170422 (0.408429% change) linmin: converged after 5 iterations. iteration 3: trace = 4.495250492449694 (0.099692% change) linmin: converged after 4 iterations. iteration 4: trace = 4.49371319315353 (0.0342041% change) linmin: converged after 4 iterations. iteration 5: trace = 4.49259221871289 (0.0249485% change) large trace change predicted (0.050791%) linmin: converged after 6 iterations. iteration 6: trace = 4.490355890858126 (0.0497905% change) linmin: converged after 5 iterations. iteration 7: trace = 4.487337847436565 (0.0672343% change) linmin: converged after 5 iterations. iteration 8: trace = 4.485431457992155 (0.0424928% change) linmin: converged after 4 iterations. iteration 9: trace = 4.484262744539727 (0.0260592% change) linmin: converged after 3 iterations. iteration 10: trace = 4.483883370910921 (0.00846047% change) linmin: converged after 3 iterations. iteration 11: trace = 4.483810183156653 (0.00163225% change) linmin: converged after 4 iterations. iteration 12: trace = 4.483801839966899 (0.000186074% change) linmin: converged after 3 iterations. iteration 13: trace = 4.483800541625653 (2.89563e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.483800185656149 (7.93901e-06% change) linmin: converged after 10 iterations. iteration 15: trace = 4.483799885096508 (6.70323e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.483799578938986 (6.82808e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 4.483799309165917 (6.01662e-06% change) linmin: converged after 5 iterations. iteration 18: trace = 4.483798916289464 (8.76213e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.483798783128028 (2.96984e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.483798762624107 (4.57289e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.483798756127747 (1.44885e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.483798754611332 (3.38199e-08% change) linmin: converged after 6 iterations. iteration 23: trace = 4.483798754481938 (2.88582e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 4.483798754451485 (6.79158e-10% change) linmin: converged after 9 iterations. iteration 25: trace = 4.483798754422087 (6.55665e-10% change) linmin: converged after 10 iterations. iteration 26: trace = 4.483798754387649 (7.68039e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 4.483798754356913 (6.85497e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.483798754303914 (1.18202e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 4.483798754278564 (5.65358e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.483798754271717 (1.52705e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 4.483798754265763 (1.32797e-10% change) large trace change predicted (4.81971e-10%) linmin: converged after 11 iterations. iteration 32: trace = 4.483798754244148 (4.82062e-10% change) large trace change predicted (2.68953e-09%) linmin: converged after 16 iterations. iteration 33: trace = 4.483798754123558 (2.68948e-09% change) large trace change predicted (9.03653e-09%) linmin: converged after 26 iterations. iteration 34: trace = 4.483798753718376 (9.03657e-09% change) large trace change predicted (3.80128e-08%) linmin: converged after 4 iterations. iteration 35: trace = 4.483798752013974 (3.80125e-08% change) large trace change predicted (1.4449e-07%) linmin: converged after 10 iterations. iteration 36: trace = 4.483798745535848 (1.44479e-07% change) large trace change predicted (4.63617e-07%) linmin: converged after 7 iterations. iteration 37: trace = 4.483798724762522 (4.63297e-07% change) linmin: converged after 9 iterations. iteration 38: trace = 4.483798696684988 (6.262e-07% change) linmin: converged after 6 iterations. iteration 39: trace = 4.483798668011247 (6.39497e-07% change) linmin: converged after 7 iterations. iteration 40: trace = 4.483798643045461 (5.568e-07% change) linmin: converged after 7 iterations. iteration 41: trace = 4.483798621761728 (4.74681e-07% change) large trace change predicted (1.35906e-06%) linmin: converged after 14 iterations. iteration 42: trace = 4.483798561091655 (1.3531e-06% change) large trace change predicted (5.83096e-06%) linmin: converged after 12 iterations. iteration 43: trace = 4.483798313939567 (5.51211e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 4.483798101265799 (4.74316e-06% change) linmin: converged after 9 iterations. iteration 45: trace = 4.483798058283457 (9.58615e-07% change) linmin: converged after 5 iterations. iteration 46: trace = 4.483798047916718 (2.31204e-07% change) linmin: converged after 7 iterations. iteration 47: trace = 4.483798039721035 (1.82784e-07% change) linmin: converged after 5 iterations. iteration 48: trace = 4.483798036703872 (6.72903e-08% change) linmin: converged after 7 iterations. iteration 49: trace = 4.483798033246053 (7.71181e-08% change) linmin: converged after 14 iterations. iteration 50: trace = 4.483798027632095 (1.25205e-07% change) linmin: converged after 11 iterations. iteration 51: trace = 4.483798025313663 (5.17069e-08% change) linmin: converged after 4 iterations. iteration 52: trace = 4.483798024490243 (1.83644e-08% change) linmin: converged after 9 iterations. iteration 53: trace = 4.483798024240609 (5.56747e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.483798024202668 (8.46165e-10% change) linmin: converged after 4 iterations. iteration 55: trace = 4.483798024193275 (2.09496e-10% change) linmin: converged after 3 iterations. iteration 56: trace = 4.483798024185907 (1.64332e-10% change) large trace change predicted (3.45032e-10%) linmin: converged after 3 iterations. iteration 57: trace = 4.48379802417044 (3.44947e-10% change) linmin: converged after 9 iterations. iteration 58: trace = 4.483798024159698 (2.39565e-10% change) linmin: converged after 6 iterations. iteration 59: trace = 4.483798024156931 (6.17237e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 .elapsed time for k point: 0.40741705894470215 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2859057791196546 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4206573383997513 at Vector3<0.5, 0.0, 0.0> to 0.550336075483128 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5029830978365986 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128123 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.561339793988975 at Vector3<0.0, 0.0, 0.0> to 0.7200918204564002 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7472029910480842 at Vector3<0.5, 0.0, 0.0> to 0.874359380500509 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8404509697526802 at Vector3<0.3, 0.3, 0.0> to 0.8833173725822797 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8770118718330762 at Vector3<0.5, 0.0, 0.0> to 0.9653253808981622 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8929933495598111 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093346 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2859057791196546) to band 2 (0.4206573383997513), 38.142822895477764% Gap from band 4 (0.7200918204564002) to band 5 (0.7472029910480842), 3.6953951420145317% total elapsed time for run: 2.4064199924468994 done /tmp/meepW1wGQn/test_sq_rods-0: 7.49s /tmp/meepW1wGQn/test_strip-0 ======================== Initializing eigensolver data Computing 4 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 1 x 64 x 64. Solving for 4 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 2, 0) (0, 0, 2) Cell volume = 4 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 0.5, -0) (0, -0, 0.5) Geometric objects: block, center = (0,0,0.5625) size (1e+20,1e+20,0.875) axes (1,0,0), (0,1,0), (0,0,1) block, center = (0,0,0) size (1e+20,0.3,0.25) axes (1,0,0), (0,1,0), (0,0,1) Geometric object tree has depth 2 and 8 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 11 k-points Vector3<0.1, 0.0, 0.0> Vector3<0.39, 0.0, 0.0> Vector3<0.6799999999999999, 0.0, 0.0> Vector3<0.9699999999999999, 0.0, 0.0> Vector3<1.26, 0.0, 0.0> Vector3<1.55, 0.0, 0.0> Vector3<1.8399999999999999, 0.0, 0.0> Vector3<2.13, 0.0, 0.0> Vector3<2.42, 0.0, 0.0> Vector3<2.71, 0.0, 0.0> Vector3<3.0, 0.0, 0.0> elapsed time for initialization: 0.013356685638427734 solve_kpoint (0.1,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4 Solving for bands 1 to 4... near maximum in trace linmin: converged after 15 iterations. iteration 1: trace = 0.9888324390218682 (199.208% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3275386403084771 (100.472% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2964736897904747 (9.95652% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2766924976943159 (6.90243% change) linmin: converged after 8 iterations. iteration 5: trace = 0.2726168891855943 (1.4839% change) linmin: converged after 5 iterations. iteration 6: trace = 0.270956896922333 (0.61077% change) linmin: converged after 5 iterations. iteration 7: trace = 0.2704215716674763 (0.197764% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2698420362655408 (0.214538% change) linmin: converged after 7 iterations. iteration 9: trace = 0.2692566676304987 (0.217166% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2688723160418601 (0.142847% change) linmin: converged after 5 iterations. iteration 11: trace = 0.2687479778579176 (0.046255% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2687078756602271 (0.014923% change) linmin: converged after 6 iterations. iteration 13: trace = 0.2686863756619038 (0.00800157% change) linmin: converged after 11 iterations. iteration 14: trace = 0.2686684185686193 (0.00668351% change) linmin: converged after 4 iterations. iteration 15: trace = 0.2686570148032411 (0.00424464% change) linmin: converged after 5 iterations. iteration 16: trace = 0.2686528052152584 (0.00156691% change) linmin: converged after 5 iterations. iteration 17: trace = 0.2686509505033104 (0.000690377% change) linmin: converged after 5 iterations. iteration 18: trace = 0.2686504308756018 (0.000193421% change) linmin: converged after 5 iterations. iteration 19: trace = 0.268650138117564 (0.000108974% change) linmin: converged after 5 iterations. iteration 20: trace = 0.2686498488709347 (0.000107667% change) linmin: converged after 5 iterations. iteration 21: trace = 0.2686495704061684 (0.000103653% change) linmin: converged after 6 iterations. iteration 22: trace = 0.2686494341954875 (5.0702e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.2686493830081608 (1.90536e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 0.2686493569009784 (9.71794e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.2686493401671755 (6.22886e-06% change) linmin: converged after 7 iterations. iteration 26: trace = 0.268649326024952 (5.26419e-06% change) linmin: converged after 10 iterations. iteration 27: trace = 0.2686493177549052 (3.07838e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 0.2686493141306603 (1.34906e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 0.268649313331748 (2.97381e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.2686493131405789 (7.11594e-08% change) linmin: converged after 6 iterations. iteration 31: trace = 0.2686493130940357 (1.73249e-08% change) linmin: converged after 6 iterations. iteration 32: trace = 0.2686493130827898 (4.18609e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 0.2686493130763548 (2.39534e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.2686493130709226 (2.02202e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 0.2686493130667697 (1.54584e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 0.268649313065218 (5.77594e-10% change) linmin: converged after 5 iterations. iteration 37: trace = 0.2686493130645846 (2.35786e-10% change) linmin: converged after 5 iterations. iteration 38: trace = 0.2686493130640135 (2.12581e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.2686493130635702 (1.64994e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 0.2686493130631565 (1.53981e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 0.2686493130629666 (7.0709e-11% change) Finished solving for bands 1 to 4 after 41 iterations. freqs:, 1, 0.1, 0, 0, 0.1, 0.0807582, 0.0855765, 0.3147, 0.394675 elapsed time for k point: 0.6053955554962158 zparity:, 1, 0.9918457643225782, -0.9993165778920725, 0.9263952713802505, 0.734287985548275 yparity:, 1, -0.9999999941669362, 0.99999999487748, 0.9999993171403594, -0.9999903440069827 solve_kpoint (0.39,0,0): Solving for bands 1 to 4... linmin: converged after 6 iterations. iteration 1: trace = 0.6221572131366291 (6.85988% change) linmin: converged after 4 iterations. iteration 2: trace = 0.6115306387005999 (1.72273% change) linmin: converged after 5 iterations. iteration 3: trace = 0.6092236100631382 (0.377968% change) linmin: converged after 5 iterations. iteration 4: trace = 0.607893574459796 (0.218555% change) linmin: converged after 5 iterations. iteration 5: trace = 0.6073391521677145 (0.0912455% change) linmin: converged after 4 iterations. iteration 6: trace = 0.6070826550177769 (0.0422419% change) linmin: converged after 4 iterations. iteration 7: trace = 0.6070081174319053 (0.0122788% change) linmin: converged after 4 iterations. iteration 8: trace = 0.6069403390784631 (0.0111666% change) linmin: converged after 4 iterations. iteration 9: trace = 0.6069054512212708 (0.00574832% change) linmin: converged after 4 iterations. iteration 10: trace = 0.6068924091656942 (0.00214897% change) linmin: converged after 4 iterations. iteration 11: trace = 0.6068870095060069 (0.000889727% change) linmin: converged after 4 iterations. iteration 12: trace = 0.6068853033452269 (0.000281134% change) linmin: converged after 5 iterations. iteration 13: trace = 0.6068844690828908 (0.000137466% change) linmin: converged after 4 iterations. iteration 14: trace = 0.6068841755207717 (4.8372e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 0.6068840418585743 (2.20243e-05% change) linmin: converged after 6 iterations. iteration 16: trace = 0.6068839789046555 (1.03733e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 0.6068839547900673 (3.97351e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 0.6068839452457313 (1.57268e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.6068839423137369 (4.83123e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.6068839407794933 (2.52807e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.6068839400027541 (1.27988e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.6068839396340782 (6.0749e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 0.6068839395282148 (1.74438e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 0.6068839394969756 (5.14748e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 0.6068839394888972 (1.33113e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.6068839394859101 (4.92195e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 0.6068839394838379 (3.41454e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 0.6068839394826203 (2.00628e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 0.6068839394820118 (1.00268e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 0.6068839394817223 (4.77103e-11% change) Finished solving for bands 1 to 4 after 30 iterations. freqs:, 2, 0.39, 0, 0, 0.39, 0.305867, 0.318873, 0.435494, 0.471163 elapsed time for k point: 0.4416842460632324 zparity:, 2, 0.8497976290504269, -0.8562083115828171, 0.6135047144722525, 0.7040493643479445 yparity:, 2, -0.99999997824115, 0.9999997901628019, 1.0000058683415927, -0.9999353452636274 solve_kpoint (0.68,0,0): Solving for bands 1 to 4... linmin: converged after 6 iterations. iteration 1: trace = 1.264470565181798 (5.39004% change) linmin: converged after 5 iterations. iteration 2: trace = 1.235883601230144 (2.28663% change) linmin: converged after 5 iterations. iteration 3: trace = 1.224582577451394 (0.918608% change) linmin: converged after 5 iterations. iteration 4: trace = 1.218161286420484 (0.525744% change) linmin: converged after 5 iterations. iteration 5: trace = 1.214962361810038 (0.262948% change) linmin: converged after 4 iterations. iteration 6: trace = 1.212817357016093 (0.176705% change) linmin: converged after 5 iterations. iteration 7: trace = 1.211094436566317 (0.14216% change) linmin: converged after 5 iterations. iteration 8: trace = 1.209359468510651 (0.143359% change) linmin: converged after 4 iterations. iteration 9: trace = 1.208547294324958 (0.0671799% change) linmin: converged after 4 iterations. iteration 10: trace = 1.208042238043651 (0.0417991% change) linmin: converged after 3 iterations. iteration 11: trace = 1.207823296097655 (0.0181253% change) linmin: converged after 4 iterations. iteration 12: trace = 1.20774946695579 (0.00611276% change) linmin: converged after 4 iterations. iteration 13: trace = 1.207719818833629 (0.00245485% change) linmin: converged after 4 iterations. iteration 14: trace = 1.207710829504943 (0.000744325% change) linmin: converged after 4 iterations. iteration 15: trace = 1.207706751669002 (0.000337651% change) linmin: converged after 5 iterations. iteration 16: trace = 1.207705249394496 (0.000124391% change) linmin: converged after 4 iterations. iteration 17: trace = 1.20770478657244 (3.83224e-05% change) linmin: converged after 8 iterations. iteration 18: trace = 1.207704628833395 (1.30611e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 1.207704566628044 (5.15071e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.207704535782969 (2.55402e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.207704518965966 (1.39248e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 1.207704506350377 (1.04459e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.207704497493667 (7.33351e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.207704491987183 (4.55946e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.207704488731012 (2.69617e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 1.207704487630342 (9.11374e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.207704487187941 (3.66316e-08% change) linmin: converged after 29 iterations. iteration 28: trace = 1.207704487019397 (1.39557e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 1.207704486953283 (5.47437e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 1.207704486927158 (2.16315e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 1.20770448692001 (5.91853e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.207704486917504 (2.07501e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 1.207704486916821 (5.65911e-11% change) Finished solving for bands 1 to 4 after 33 iterations. freqs:, 3, 0.68, 0, 0, 0.68, 0.506676, 0.511416, 0.580115, 0.594058 elapsed time for k point: 0.484574556350708 zparity:, 3, 0.6430471097752507, -0.5132970564884474, 0.7493332278999564, -0.5174581392595494 yparity:, 3, -1.0000092437102708, 0.9999867307863219, -0.9999773484877139, 0.9999739527336189 solve_kpoint (0.97,0,0): Solving for bands 1 to 4... linmin: converged after 7 iterations. iteration 1: trace = 1.937534840494973 (4.15315% change) linmin: converged after 9 iterations. iteration 2: trace = 1.902810987200527 (1.80837% change) linmin: converged after 5 iterations. iteration 3: trace = 1.892740288336731 (0.530658% change) linmin: converged after 5 iterations. iteration 4: trace = 1.888078677874317 (0.246593% change) linmin: converged after 5 iterations. iteration 5: trace = 1.885790637821863 (0.121257% change) linmin: converged after 4 iterations. iteration 6: trace = 1.884495797862842 (0.0686866% change) linmin: converged after 4 iterations. iteration 7: trace = 1.883742431329364 (0.0399851% change) linmin: converged after 4 iterations. iteration 8: trace = 1.883417285428552 (0.0172621% change) linmin: converged after 4 iterations. iteration 9: trace = 1.88328988658861 (0.00676447% change) linmin: converged after 4 iterations. iteration 10: trace = 1.883239300159727 (0.0026861% change) linmin: converged after 4 iterations. iteration 11: trace = 1.8832132763577 (0.00138187% change) linmin: converged after 5 iterations. iteration 12: trace = 1.88320255210312 (0.000569467% change) linmin: converged after 5 iterations. iteration 13: trace = 1.883195968261355 (0.000349609% change) linmin: converged after 4 iterations. iteration 14: trace = 1.883193887272407 (0.000110503% change) linmin: converged after 5 iterations. iteration 15: trace = 1.883193169554699 (3.81117e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.883192877574129 (1.55045e-05% change) linmin: converged after 30 iterations. iteration 17: trace = 1.88319279458978 (4.40658e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.883192759151869 (1.8818e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 1.883192748042747 (5.89909e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 1.883192744742938 (1.75224e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 1.883192743542444 (6.37478e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 1.883192743093152 (2.3858e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 1.883192742911183 (9.66277e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 1.883192742851265 (3.18174e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 1.883192742827562 (1.25865e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 1.883192742817958 (5.09978e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 1.883192742814803 (1.67548e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.883192742813691 (5.90486e-11% change) Finished solving for bands 1 to 4 after 28 iterations. freqs:, 4, 0.97, 0, 0, 0.97, 0.629793, 0.64279, 0.724022, 0.741057 elapsed time for k point: 0.41271352767944336 zparity:, 4, 0.9505599456719065, -0.7953782494211977, 0.29095932960550286, -0.25994001913987347 yparity:, 4, -0.9999756485609448, 0.9999734198097991, -0.999995157307403, 1.0000024021439093 solve_kpoint (1.26,0,0): Solving for bands 1 to 4... linmin: converged after 6 iterations. iteration 1: trace = 2.691331240742615 (1.92976% change) linmin: converged after 5 iterations. iteration 2: trace = 2.671295720194706 (0.747228% change) linmin: converged after 5 iterations. iteration 3: trace = 2.664766792281376 (0.24471% change) linmin: converged after 4 iterations. iteration 4: trace = 2.656412156455265 (0.314014% change) linmin: converged after 6 iterations. iteration 5: trace = 2.64004092916334 (0.618196% change) linmin: converged after 7 iterations. iteration 6: trace = 2.625855470406776 (0.538767% change) linmin: converged after 7 iterations. iteration 7: trace = 2.618595095217472 (0.276878% change) linmin: converged after 4 iterations. iteration 8: trace = 2.614863948424679 (0.142588% change) linmin: converged after 4 iterations. iteration 9: trace = 2.61155998293371 (0.126433% change) linmin: converged after 4 iterations. iteration 10: trace = 2.608574632654221 (0.114378% change) linmin: converged after 4 iterations. iteration 11: trace = 2.606864668709445 (0.0655732% change) linmin: converged after 3 iterations. iteration 12: trace = 2.605988524588998 (0.0336148% change) linmin: converged after 4 iterations. iteration 13: trace = 2.60529007102471 (0.0268055% change) linmin: converged after 4 iterations. iteration 14: trace = 2.604861354149333 (0.016457% change) linmin: converged after 4 iterations. iteration 15: trace = 2.604545510488305 (0.0121259% change) linmin: converged after 3 iterations. iteration 16: trace = 2.604368153519931 (0.00680975% change) linmin: converged after 3 iterations. iteration 17: trace = 2.604272749282771 (0.00366331% change) linmin: converged after 3 iterations. iteration 18: trace = 2.60420413010625 (0.0026349% change) linmin: converged after 3 iterations. iteration 19: trace = 2.604166865970366 (0.00143093% change) linmin: converged after 3 iterations. iteration 20: trace = 2.604146033706897 (0.000799962% change) linmin: converged after 3 iterations. iteration 21: trace = 2.604132293019359 (0.000527648% change) linmin: converged after 4 iterations. iteration 22: trace = 2.604120260624324 (0.000462051% change) linmin: converged after 3 iterations. iteration 23: trace = 2.604114500336493 (0.000221199% change) linmin: converged after 4 iterations. iteration 24: trace = 2.604111450417363 (0.000117119% change) linmin: converged after 4 iterations. iteration 25: trace = 2.604109427544149 (7.768e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 2.604108092320791 (5.12737e-05% change) linmin: converged after 4 iterations. iteration 27: trace = 2.604107084206199 (3.87125e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 2.604106651525095 (1.66153e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 2.604106383464833 (1.02938e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 2.60410624163946 (5.44622e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 2.604106139753165 (3.91252e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 2.604106074195842 (2.51746e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 2.604106025604104 (1.86597e-06% change) linmin: converged after 3 iterations. iteration 34: trace = 2.60410599041135 (1.35143e-06% change) linmin: converged after 4 iterations. iteration 35: trace = 2.604105970704686 (7.56754e-07% change) linmin: converged after 12 iterations. iteration 36: trace = 2.60410596202347 (3.33366e-07% change) linmin: converged after 3 iterations. iteration 37: trace = 2.604105957861608 (1.59819e-07% change) linmin: converged after 19 iterations. iteration 38: trace = 2.604105955505161 (9.04897e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 2.604105953483296 (7.76414e-08% change) linmin: converged after 4 iterations. iteration 40: trace = 2.604105952144349 (5.14168e-08% change) linmin: converged after 2 iterations. iteration 41: trace = 2.604105951136478 (3.87032e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 2.604105950573165 (2.16317e-08% change) linmin: converged after 2 iterations. iteration 43: trace = 2.6041059502426 (1.2694e-08% change) linmin: converged after 6 iterations. iteration 44: trace = 2.604105950072071 (6.54845e-09% change) linmin: converged after 10 iterations. iteration 45: trace = 2.604105949971545 (3.86032e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 2.604105949909479 (2.38339e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 2.60410594987232 (1.42693e-09% change) linmin: converged after 2 iterations. iteration 48: trace = 2.604105949849343 (8.82344e-10% change) linmin: converged after 2 iterations. iteration 49: trace = 2.604105949833435 (6.10871e-10% change) linmin: converged after 10 iterations. iteration 50: trace = 2.604105949821809 (4.46459e-10% change) linmin: converged after 4 iterations. iteration 51: trace = 2.604105949814589 (2.77238e-10% change) linmin: converged after 15 iterations. iteration 52: trace = 2.604105949811253 (1.28122e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 2.604105949809348 (7.31421e-11% change) Finished solving for bands 1 to 4 after 53 iterations. freqs:, 5, 1.26, 0, 0, 1.26, 0.691833, 0.716391, 0.880207, 0.915146 elapsed time for k point: 0.7725048065185547 zparity:, 5, 0.989433203647542, -0.9410345597949865, -0.9057097520565045, 0.12590511639238144 yparity:, 5, -0.9999341958044328, 0.9999920496326398, -0.9999957145769376, 1.0000214447200038 solve_kpoint (1.55,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.26639506979951 (2.05094% change) linmin: converged after 5 iterations. iteration 2: trace = 3.23237735565494 (1.0469% change) linmin: converged after 5 iterations. iteration 3: trace = 3.204495549843098 (0.866315% change) linmin: converged after 4 iterations. iteration 4: trace = 3.18738669887312 (0.535331% change) linmin: converged after 4 iterations. iteration 5: trace = 3.178841158373934 (0.268465% change) linmin: converged after 4 iterations. iteration 6: trace = 3.174359784712304 (0.141075% change) linmin: converged after 4 iterations. iteration 7: trace = 3.172271429703448 (0.0658099% change) linmin: converged after 4 iterations. iteration 8: trace = 3.171344966966395 (0.0292093% change) linmin: converged after 4 iterations. iteration 9: trace = 3.171078223607456 (0.0084114% change) linmin: converged after 3 iterations. iteration 10: trace = 3.171008879397919 (0.00218679% change) linmin: converged after 4 iterations. iteration 11: trace = 3.170984754524605 (0.000760798% change) linmin: converged after 4 iterations. iteration 12: trace = 3.170977067782422 (0.000242409% change) linmin: converged after 5 iterations. iteration 13: trace = 3.170972828710279 (0.000133684% change) linmin: converged after 4 iterations. iteration 14: trace = 3.170971244290355 (4.99664e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 3.170970553226572 (2.17934e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 3.170970265011883 (9.08916e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 3.17097016410982 (3.18206e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 3.170970121317296 (1.34951e-06% change) linmin: converged after 17 iterations. iteration 19: trace = 3.17097010422038 (5.3917e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 3.170970094225224 (3.15208e-07% change) linmin: converged after 7 iterations. iteration 21: trace = 3.170970088061007 (1.94395e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 3.170970085145855 (9.19325e-08% change) linmin: converged after 8 iterations. iteration 23: trace = 3.170970083948774 (3.77513e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 3.170970083533363 (1.31004e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 3.170970083397893 (4.27219e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 3.170970083352963 (1.41691e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 3.170970083335027 (5.65641e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 3.170970083326959 (2.54426e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 3.170970083323875 (9.72496e-11% change) Finished solving for bands 1 to 4 after 29 iterations. freqs:, 6, 1.55, 0, 0, 1.55, 0.750543, 0.778256, 0.948183, 1.0502 elapsed time for k point: 0.4269261360168457 zparity:, 6, 0.9953267395047382, -0.9730766670031459, -0.9862479112152126, 0.7878496621570783 yparity:, 6, -0.9999079119735824, 0.9999964725107334, -1.000000377490699, 1.0001762821150713 solve_kpoint (1.84,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.705421766670278 (1.60572% change) linmin: converged after 5 iterations. iteration 2: trace = 3.680251297987984 (0.681603% change) linmin: converged after 5 iterations. iteration 3: trace = 3.671551008009001 (0.236685% change) linmin: converged after 4 iterations. iteration 4: trace = 3.667866331048737 (0.100408% change) linmin: converged after 4 iterations. iteration 5: trace = 3.66688470831303 (0.0267664% change) linmin: converged after 4 iterations. iteration 6: trace = 3.666380816936693 (0.0137426% change) linmin: converged after 4 iterations. iteration 7: trace = 3.666217749636429 (0.00444774% change) linmin: converged after 4 iterations. iteration 8: trace = 3.666150582978132 (0.00183206% change) linmin: converged after 5 iterations. iteration 9: trace = 3.666126412642443 (0.000659286% change) linmin: converged after 4 iterations. iteration 10: trace = 3.666119045925821 (0.00020094% change) linmin: converged after 5 iterations. iteration 11: trace = 3.666116142667231 (7.91916e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 3.666115478266021 (1.81228e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 3.666115258037463 (6.00714e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 3.666115190515094 (1.8418e-06% change) linmin: converged after 12 iterations. iteration 15: trace = 3.666115174200294 (4.45016e-07% change) linmin: converged after 34 iterations. iteration 16: trace = 3.666115169279944 (1.34212e-07% change) linmin: converged after 26 iterations. iteration 17: trace = 3.666115167850354 (3.89947e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 3.666115167237355 (1.67207e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 3.666115166888868 (9.50563e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 3.666115166571138 (8.66666e-09% change) large trace change predicted (1.8721e-08%) linmin: converged after 3 iterations. iteration 21: trace = 3.666115165884804 (1.8721e-08% change) large trace change predicted (4.39604e-08%) linmin: converged after 2 iterations. iteration 22: trace = 3.666115164273174 (4.39602e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 3.666115161715004 (6.97788e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 3.666115159305643 (6.57197e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 3.666115157581597 (4.70265e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 3.666115156371118 (3.3018e-08% change) linmin: converged after 29 iterations. iteration 27: trace = 3.666115155743586 (1.71171e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 3.666115155488852 (6.94832e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 3.666115155416272 (1.97976e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 3.666115155394743 (5.87243e-10% change) linmin: converged after 6 iterations. iteration 31: trace = 3.666115155388822 (1.61519e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 3.666115155387485 (3.64733e-11% change) Finished solving for bands 1 to 4 after 32 iterations. freqs:, 7, 1.84, 0, 0, 1.84, 0.811564, 0.839559, 1.01283, 1.12995 elapsed time for k point: 0.47051525115966797 zparity:, 7, 0.9973241081197918, -0.9843536270513236, -0.9920656947485307, 0.9432892229124705 yparity:, 7, -0.9998843493066556, 0.9999987176028676, -1.0000042289550708, 1.0002512951480595 solve_kpoint (2.13,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 4.179248358291265 (0.910349% change) linmin: converged after 4 iterations. iteration 2: trace = 4.167780338438533 (0.274781% change) linmin: converged after 4 iterations. iteration 3: trace = 4.165776414135443 (0.0480929% change) linmin: converged after 4 iterations. iteration 4: trace = 4.164897072709999 (0.0211109% change) linmin: converged after 5 iterations. iteration 5: trace = 4.164637936358596 (0.00622211% change) linmin: converged after 4 iterations. iteration 6: trace = 4.164446201568918 (0.00460398% change) linmin: converged after 4 iterations. iteration 7: trace = 4.164369177258034 (0.00184959% change) linmin: converged after 4 iterations. iteration 8: trace = 4.164344541357698 (0.00059159% change) linmin: converged after 3 iterations. iteration 9: trace = 4.164337522751159 (0.000168541% change) linmin: converged after 4 iterations. iteration 10: trace = 4.164335843810669 (4.03171e-05% change) linmin: converged after 11 iterations. iteration 11: trace = 4.164335332889603 (1.2269e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 4.164335230990832 (2.44694e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.164335202539359 (6.83218e-07% change) linmin: converged after 16 iterations. iteration 14: trace = 4.164335187756661 (3.54983e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 4.164335171932831 (3.79985e-07% change) large trace change predicted (1.02272e-06%) linmin: converged after 18 iterations. iteration 16: trace = 4.164335129343733 (1.02271e-06% change) large trace change predicted (8.89363e-06%) linmin: converged after 3 iterations. iteration 17: trace = 4.164334759042767 (8.8922e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 18: trace = 4.163167571485226 (0.0280321% change) linmin: converged after 5 iterations. iteration 19: trace = 4.163166861389517 (1.70566e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 4.163166148849433 (1.71153e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 4.163165434107727 (1.71682e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 4.163164717379173 (1.7216e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.163163998852053 (1.72592e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 4.163163278689784 (1.72984e-05% change) linmin: converged after 15 iterations. iteration 25: trace = 4.163162557032654 (1.73343e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 4.163161833964804 (1.73682e-05% change) linmin: converged after 10 iterations. iteration 27: trace = 4.163161109654002 (1.73981e-05% change) linmin: converged after 8 iterations. iteration 28: trace = 4.163160384102417 (1.74279e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 4.163159657461082 (1.74541e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 4.163158929734315 (1.74802e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.163158200956214 (1.75054e-05% change) linmin: converged after 4 iterations. iteration 32: trace = 4.163157471147982 (1.75302e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 4.163156740319218 (1.75547e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 4.163156008469007 (1.75792e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 4.163155275566684 (1.76045e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 4.163154541633672 (1.76293e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 4.163153806622978 (1.76551e-05% change) linmin: converged after 20 iterations. iteration 38: trace = 4.163153070500863 (1.76818e-05% change) linmin: converged after 5 iterations. iteration 39: trace = 4.163152333220106 (1.77097e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 4.163151594749683 (1.77383e-05% change) linmin: converged after 5 iterations. iteration 41: trace = 4.163150855031747 (1.77682e-05% change) linmin: converged after 16 iterations. iteration 42: trace = 4.163150114011277 (1.77995e-05% change) linmin: converged after 10 iterations. iteration 43: trace = 4.163149371627267 (1.78323e-05% change) linmin: converged after 9 iterations. iteration 44: trace = 4.163148627820911 (1.78664e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 4.163147882524772 (1.79022e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 4.163147135670197 (1.79397e-05% change) linmin: converged after 4 iterations. iteration 47: trace = 4.163146387186154 (1.79788e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 4.163145636999446 (1.80197e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 4.16314488503491 (1.80624e-05% change) linmin: converged after 6 iterations. iteration 50: trace = 4.163144131215732 (1.8107e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 4.163143375499184 (1.81525e-05% change) linmin: converged after 5 iterations. iteration 52: trace = 4.163142617734515 (1.82017e-05% change) linmin: converged after 6 iterations. iteration 53: trace = 4.163141857876571 (1.8252e-05% change) linmin: converged after 8 iterations. iteration 54: trace = 4.163141095843719 (1.83043e-05% change) linmin: converged after 6 iterations. iteration 55: trace = 4.163140331553426 (1.83585e-05% change) linmin: converged after 7 iterations. iteration 56: trace = 4.163139564922568 (1.84147e-05% change) linmin: converged after 5 iterations. iteration 57: trace = 4.163138795867389 (1.8473e-05% change) linmin: converged after 6 iterations. iteration 58: trace = 4.163138024303669 (1.85332e-05% change) linmin: converged after 9 iterations. iteration 59: trace = 4.163137250146859 (1.85955e-05% change) linmin: converged after 5 iterations. iteration 60: trace = 4.163136473312079 (1.86598e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 4.163135693714312 (1.87262e-05% change) linmin: converged after 4 iterations. iteration 62: trace = 4.163134911268378 (1.87946e-05% change) linmin: converged after 5 iterations. iteration 63: trace = 4.163134125889088 (1.88651e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 4.163133337491245 (1.89376e-05% change) linmin: converged after 8 iterations. iteration 65: trace = 4.163132545989766 (1.90122e-05% change) linmin: converged after 7 iterations. iteration 66: trace = 4.163131751299715 (1.90888e-05% change) linmin: converged after 8 iterations. iteration 67: trace = 4.163130953336374 (1.91674e-05% change) linmin: converged after 10 iterations. iteration 68: trace = 4.163130152015243 (1.9248e-05% change) linmin: converged after 5 iterations. iteration 69: trace = 4.16312934725222 (1.93307e-05% change) resetting CG direction... large trace change predicted (0.20048%) linmin: converged after 4 iterations. iteration 70: trace = 4.154754261911736 (0.201375% change) linmin: converged after 4 iterations. iteration 71: trace = 4.151730806777307 (0.0727975% change) linmin: converged after 4 iterations. iteration 72: trace = 4.15032776944845 (0.0337997% change) linmin: converged after 3 iterations. iteration 73: trace = 4.149564391463374 (0.0183949% change) linmin: converged after 4 iterations. iteration 74: trace = 4.149045252081907 (0.0125115% change) linmin: converged after 5 iterations. iteration 75: trace = 4.148540774449177 (0.0121596% change) linmin: converged after 3 iterations. iteration 76: trace = 4.147913060655496 (0.0151321% change) linmin: converged after 4 iterations. iteration 77: trace = 4.146963377620825 (0.0228981% change) linmin: converged after 4 iterations. iteration 78: trace = 4.145419676703636 (0.0372318% change) linmin: converged after 5 iterations. iteration 79: trace = 4.14376842372579 (0.0398411% change) linmin: converged after 4 iterations. iteration 80: trace = 4.14281362401156 (0.0230445% change) linmin: converged after 3 iterations. iteration 81: trace = 4.142427720276999 (0.00931545% change) linmin: converged after 3 iterations. iteration 82: trace = 4.142309327789103 (0.00285809% change) linmin: converged after 3 iterations. iteration 83: trace = 4.142270292017477 (0.000942372% change) linmin: converged after 3 iterations. iteration 84: trace = 4.142259228421445 (0.000267091% change) linmin: converged after 4 iterations. iteration 85: trace = 4.14225409865688 (0.00012384% change) linmin: converged after 4 iterations. iteration 86: trace = 4.142251825599367 (5.48749e-05% change) linmin: converged after 5 iterations. iteration 87: trace = 4.142250854647379 (2.34402e-05% change) linmin: converged after 2 iterations. iteration 88: trace = 4.142250458336948 (9.56751e-06% change) linmin: converged after 5 iterations. iteration 89: trace = 4.142250016098136 (1.06763e-05% change) linmin: converged after 4 iterations. iteration 90: trace = 4.142249199797336 (1.97067e-05% change) linmin: converged after 5 iterations. iteration 91: trace = 4.142248059546337 (2.75273e-05% change) linmin: converged after 5 iterations. iteration 92: trace = 4.142246315213379 (4.21108e-05% change) linmin: converged after 5 iterations. iteration 93: trace = 4.142245417579024 (2.16702e-05% change) linmin: converged after 3 iterations. iteration 94: trace = 4.142245181155512 (5.70762e-06% change) linmin: converged after 2 iterations. iteration 95: trace = 4.14224510796464 (1.76694e-06% change) linmin: converged after 2 iterations. iteration 96: trace = 4.142245088102851 (4.79493e-07% change) linmin: converged after 2 iterations. iteration 97: trace = 4.142245076894202 (2.70594e-07% change) linmin: converged after 2 iterations. iteration 98: trace = 4.142245071669755 (1.26126e-07% change) linmin: converged after 4 iterations. iteration 99: trace = 4.142245069756006 (4.62008e-08% change) linmin: converged after 2 iterations. iteration 100: trace = 4.142245069000713 (1.82339e-08% change) linmin: converged after 2 iterations. iteration 101: trace = 4.142245068687521 (7.56091e-09% change) linmin: converged after 2 iterations. iteration 102: trace = 4.142245068426679 (6.29714e-09% change) linmin: converged after 3 iterations. iteration 103: trace = 4.142245068025543 (9.684e-09% change) linmin: converged after 2 iterations. iteration 104: trace = 4.142245067241771 (1.89214e-08% change) linmin: converged after 2 iterations. iteration 105: trace = 4.142245066287563 (2.3036e-08% change) linmin: converged after 17 iterations. iteration 106: trace = 4.142245065572562 (1.72612e-08% change) linmin: converged after 2 iterations. iteration 107: trace = 4.142245065259741 (7.55196e-09% change) linmin: converged after 3 iterations. iteration 108: trace = 4.142245065162629 (2.34442e-09% change) linmin: converged after 5 iterations. iteration 109: trace = 4.142245065142538 (4.85039e-10% change) linmin: converged after 2 iterations. iteration 110: trace = 4.142245065136613 (1.43018e-10% change) linmin: converged after 5 iterations. iteration 111: trace = 4.14224506513421 (5.80219e-11% change) Finished solving for bands 1 to 4 after 111 iterations. freqs:, 8, 2.13, 0, 0, 2.13, 0.875475, 0.902606, 1.07764, 1.18313 elapsed time for k point: 1.6073966026306152 zparity:, 8, 0.9982486290503184, -0.9895791223048511, -0.9942480254115398, -0.9858374395363552 yparity:, 8, -0.9998633636091696, 1.0000002772665277, -1.0000094946197315, -0.9998446077522013 solve_kpoint (2.42,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 4.665766465874826 (0.565815% change) linmin: converged after 4 iterations. iteration 2: trace = 4.659489395826579 (0.134625% change) linmin: converged after 4 iterations. iteration 3: trace = 4.65889136343878 (0.0128355% change) linmin: converged after 4 iterations. iteration 4: trace = 4.65871096353984 (0.00387224% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658687038855435 (0.000513549% change) linmin: converged after 4 iterations. iteration 6: trace = 4.658683256679809 (8.11855e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.65868239312845 (1.85364e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.658682225170767 (3.60526e-06% change) linmin: converged after 32 iterations. iteration 9: trace = 4.658682176904293 (1.03605e-06% change) linmin: converged after 32 iterations. iteration 10: trace = 4.658682160894783 (3.43649e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 4.658682157651023 (6.96283e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.658682156823383 (1.77655e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.658682156624825 (4.26212e-09% change) linmin: converged after 13 iterations. iteration 14: trace = 4.658682156534676 (1.93508e-09% change) linmin: converged after 2 iterations. iteration 15: trace = 4.658682156472839 (1.32734e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.658682156406851 (1.41645e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.658682156300653 (2.27957e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 4.658682156170639 (2.79079e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 4.65868215606025 (2.36953e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 4.658682156016946 (9.29534e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 4.658682156004981 (2.56825e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.658682156001956 (6.49354e-11% change) Finished solving for bands 1 to 4 after 22 iterations. freqs:, 9, 2.42, 0, 0, 2.42, 0.942027, 0.967822, 1.14317, 1.23602 elapsed time for k point: 0.32665228843688965 zparity:, 9, 0.9987530861905044, -0.9924225574134226, -0.9954159207908803, -0.9908510257248333 yparity:, 9, -0.9998459146892739, 1.0000015100367943, -1.000016008278357, -0.9998409671137869 solve_kpoint (2.71,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.231306463684232 (0.398399% change) linmin: converged after 4 iterations. iteration 2: trace = 5.226476483996203 (0.092371% change) linmin: converged after 4 iterations. iteration 3: trace = 5.225996832030785 (0.00917777% change) linmin: converged after 4 iterations. iteration 4: trace = 5.225846177241206 (0.00288284% change) linmin: converged after 4 iterations. iteration 5: trace = 5.225825962252785 (0.000386828% change) linmin: converged after 4 iterations. iteration 6: trace = 5.225822836954242 (5.98049e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.225822132024467 (1.34894e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.22582199794199 (2.56577e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.225821960503553 (7.16412e-07% change) linmin: converged after 4 iterations. iteration 10: trace = 5.225821946532258 (2.67351e-07% change) linmin: converged after 23 iterations. iteration 11: trace = 5.225821943078995 (6.60808e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.225821942125419 (1.82474e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 5.225821941909162 (4.13824e-09% change) linmin: converged after 6 iterations. iteration 14: trace = 5.225821941839994 (1.32358e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 5.225821941820729 (3.68659e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 5.225821941816035 (8.98236e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 10, 2.71, 0, 0, 2.71, 1.01083, 1.03512, 1.20959, 1.29208 elapsed time for k point: 0.2402634620666504 zparity:, 10, 0.9990584518844059, -0.9941385054597016, -0.9961444762112273, -0.993490974654541 yparity:, 10, -0.9998332718977178, 1.0000025246212392, -1.0000230923336002, -0.9998348121388883 solve_kpoint (3,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.849410752654933 (0.287035% change) linmin: converged after 4 iterations. iteration 2: trace = 5.845548946596228 (0.0660422% change) linmin: converged after 4 iterations. iteration 3: trace = 5.845128893013054 (0.00718613% change) linmin: converged after 4 iterations. iteration 4: trace = 5.844992170146362 (0.00233912% change) linmin: converged after 4 iterations. iteration 5: trace = 5.844973984450387 (0.000311133% change) linmin: converged after 2 iterations. iteration 6: trace = 5.844971151658914 (4.84654e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.844970494856536 (1.12371e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.844970368036909 (2.16972e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.844970331184176 (6.30503e-07% change) linmin: converged after 4 iterations. iteration 10: trace = 5.844970316460053 (2.51911e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 5.844970312633015 (6.54758e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.844970311596865 (1.77272e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 5.844970311355164 (4.13519e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 5.844970311278134 (1.31788e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 5.844970311258018 (3.4415e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 5.844970311254 (6.87449e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 11, 3, 0, 0, 3, 1.0815, 1.10429, 1.27693, 1.35105 Felapsed time for k point: 0.24032306671142578 zparity:, 11, 0.9992573509363807, -0.9952507980579971, -0.9966396089669379, -0.995090516581305 yparity:, 11, -0.9998264814151204, 1.0000033584035066, -1.000030157365272, -0.999833155067483 Band 1 range: 0.0807582053404786 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106413 at Vector3<3.0, 0.0, 0.0> Band 2 range: 0.08557653550125312 at Vector3<0.1, 0.0, 0.0> to 1.1042853097904513 at Vector3<3.0, 0.0, 0.0> Band 3 range: 0.3146996800330972 at Vector3<0.1, 0.0, 0.0> to 1.2769288087738566 at Vector3<3.0, 0.0, 0.0> Band 4 range: 0.3946747943457124 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201507 at Vector3<3.0, 0.0, 0.0> total elapsed time for run: 6.0453784465789795 done /tmp/meepW1wGQn/test_strip-0: 6.05s /tmp/meepW1wGQn/test_subpixel_averaging-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0047495365142822266 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739562 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682082 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744764 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629224 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267858 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.56596067364605 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308035 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187524 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135749 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470317 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.54920151403033 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.54903784474496 (0.00294946% change) linmin: converged after 4 iterations. iteration 17: trace = 5.548889740788109 (0.00266904% change) linmin: converged after 4 iterations. iteration 18: trace = 5.548754804754166 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091159381 (0.00199531% change) linmin: converged after 5 iterations. iteration 20: trace = 5.54852436428279 (0.00215779% change) linmin: converged after 11 iterations. iteration 21: trace = 5.548418602720463 (0.00190614% change) linmin: converged after 4 iterations. iteration 22: trace = 5.548317934248884 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771316734 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174464077 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653659152 (0.00065825% change) linmin: converged after 8 iterations. iteration 26: trace = 5.548127351757858 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543561 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.54811892695647 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.548118170004898 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025919 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474814 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294575 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307495 (3.06177e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319975 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674562 (4.76813e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177104 (2.69904e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 5.548117728234804 (1.69841e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523427 (1.28219e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999207 (9.44861e-09% change) linmin: converged after 10 iterations. iteration 40: trace = 5.548117726687239 (5.62296e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.548117726496123 (3.44469e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.548117726360615 (2.44242e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206099 (2.78501e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 5.548117726001966 (3.67933e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798132 (3.67392e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621687 (3.18028e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 5.548117725481586 (2.52519e-09% change) linmin: converged after 12 iterations. iteration 48: trace = 5.548117725398292 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355063 (7.79173e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.548117725335256 (3.56993e-10% change) linmin: converged after 14 iterations. iteration 51: trace = 5.54811772532752 (1.39435e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324873 (4.77058e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3546488285064697 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696618 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.5737919204907 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957959 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525527062 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966884 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299338 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122117 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864481 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 16 iterations. iteration 10: trace = 5.567469488484439 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806202 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766992 (0.000265039% change) linmin: converged after 4 iterations. iteration 13: trace = 5.56741121530732 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639401 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003857 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969418 (5.15562e-06% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567408776891988 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106289 (9.66081e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704725036 (3.30158e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925486 (1.58055e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.56740868956289 (1.14283e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680882997 (1.55905e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017236 (2.67014e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645086614 (3.75949e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756599 (5.44778e-07% change) large trace change predicted (2.01082e-06%) linmin: converged after 5 iterations. iteration 26: trace = 5.567408502821372 (2.01054e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934909896752 (0.00850689% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934604723394 (5.48189e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 5.566934299534372 (5.48217e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933994428834 (5.48067e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933689492794 (5.47763e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.566933384800249 (5.47326e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933080401325 (5.46798e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.566932776374196 (5.4613e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932472749544 (5.45407e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 5.566932169562367 (5.44622e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.566931866840102 (5.43787e-06% change) linmin: converged after 10 iterations. iteration 38: trace = 5.566931564603342 (5.42914e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931262866589 (5.42016e-06% change) linmin: converged after 11 iterations. iteration 40: trace = 5.566930961638824 (5.41102e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930660924193 (5.4018e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930360685382 (5.39326e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930060992659 (5.38345e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929761801472 (5.37444e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692946310155 (5.36561e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929164879913 (5.35702e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.566928867121405 (5.3487e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.566928569784397 (5.34113e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 5.566928272876313 (5.33343e-06% change) linmin: converged after 11 iterations. iteration 50: trace = 5.566927976378823 (5.32605e-06% change) linmin: converged after 6 iterations. iteration 51: trace = 5.566927680268552 (5.3191e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.56692738453825 (5.31227e-06% change) linmin: converged after 11 iterations. iteration 53: trace = 5.566927089131375 (5.30646e-06% change) linmin: converged after 9 iterations. iteration 54: trace = 5.566926794050721 (5.3006e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926499251492 (5.29555e-06% change) linmin: converged after 9 iterations. iteration 56: trace = 5.566926204718682 (5.29076e-06% change) linmin: converged after 8 iterations. iteration 57: trace = 5.566925910426788 (5.28643e-06% change) linmin: converged after 11 iterations. iteration 58: trace = 5.56692561634971 (5.28258e-06% change) linmin: converged after 22 iterations. iteration 59: trace = 5.566925322470047 (5.27903e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692502875312 (5.27611e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924735171575 (5.27368e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 5.566924441697811 (5.27174e-06% change) linmin: converged after 15 iterations. iteration 63: trace = 5.566924148308404 (5.27022e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923854975883 (5.2692e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 5.566923561673016 (5.26867e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923268376391 (5.26856e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922975059185 (5.26893e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 5.5669226816959 (5.26976e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922388257993 (5.2711e-06% change) resetting CG direction... large trace change predicted (0.0754121%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271896016998 (0.0755357% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516971384612 (0.0575781% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793378884948 (0.0490017% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012522706343 (0.0500568% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007412147381 (0.0361085% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549215591849 (0.0262678% change) linmin: converged after 4 iterations. iteration 76: trace = 5.54945851488659 (0.0196523% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548475186582153 (0.0177209% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115324629955 (0.0245118% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236590277312 (0.0338744% change) linmin: converged after 7 iterations. iteration 80: trace = 5.543229536211991 (0.0362008% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884637126938 (0.024265% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240250421973 (0.0116282% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54083222953374 (0.00736362% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632183937986 (0.00361045% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551275396846 (0.00146029% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540518013349206 (0.00060034% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507616481381 (0.000187652% change) linmin: converged after 4 iterations. iteration 88: trace = 5.540503198998639 (7.97307e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 5.540501537896855 (2.99811e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500805313798 (1.32223e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500282632271 (9.43383e-06% change) linmin: converged after 8 iterations. iteration 92: trace = 5.540499844219482 (7.91287e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499539883017 (5.49294e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499215693671 (5.85127e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498791088325 (7.66367e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498248891748 (9.78606e-06% change) linmin: converged after 12 iterations. iteration 97: trace = 5.540497717237267 (9.59579e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497530168258 (3.37639e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433390383 (1.74674e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373179536 (1.08674e-06% change) linmin: converged after 11 iterations. iteration 101: trace = 5.540497320976871 (9.42202e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282534014 (6.93852e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.54049726045784 (3.98451e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250259115 (1.84076e-07% change) linmin: converged after 4 iterations. iteration 105: trace = 5.540497245851183 (7.95584e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.5404972443045 (2.7916e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.54049724358272 (1.30274e-08% change) linmin: converged after 13 iterations. iteration 108: trace = 5.540497243256398 (5.88975e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243067083 (3.41694e-09% change) linmin: converged after 12 iterations. iteration 110: trace = 5.540497242961163 (1.91175e-09% change) linmin: converged after 16 iterations. iteration 111: trace = 5.54049724291737 (7.90408e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242882084 (6.36866e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242846333 (6.45282e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242791888 (9.82664e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242724051 (1.22439e-09% change) linmin: converged after 19 iterations. iteration 116: trace = 5.540497242658851 (1.17678e-09% change) linmin: converged after 19 iterations. iteration 117: trace = 5.540497242619036 (7.18623e-10% change) linmin: converged after 8 iterations. iteration 118: trace = 5.540497242597777 (3.8371e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.54049724258708 (1.93073e-10% change) linmin: converged after 5 iterations. iteration 120: trace = 5.540497242581514 (1.00448e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579406 (3.80568e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.008690595626831 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285082116253 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029270792 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358015241 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093759496 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.49950968060096 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768473413 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071785 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903563 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644896 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354369 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158896 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065343 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510617 (2.44673e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.499374968565656 (8.71826e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.499374952684436 (2.88782e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.49937494790426 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845053 (1.92605e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 5.499374946585411 (4.7213e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645958 (2.28809e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.499374946407655 (9.44209e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.49937494637317 (6.27077e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.49937494634333 (5.42593e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.49937494630995 (6.06986e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288359 (3.92603e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.49937494627979 (1.5582e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.22076177597045898 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070057984 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187712 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948192 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972598 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583106 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149452 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.48549851723577 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634508 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450175 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.48545995253545 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302668 (1.14345e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 13 iterations. iteration 13: trace = 5.485459123224635 (9.57369e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 5.485459100856759 (4.07767e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.485459090161516 (1.94974e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.485459083892545 (1.14283e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 5.485459081556509 (4.2586e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.485459080639268 (1.67213e-08% change) linmin: converged after 21 iterations. iteration 19: trace = 5.485459080258159 (6.94763e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162862 (1.73727e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117766 (8.22091e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098432 (3.52457e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.48545908009123 (1.31297e-10% change) linmin: converged after 10 iterations. iteration 24: trace = 5.485459080087853 (6.15601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.20492243766784668 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023664138 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601536381 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987749965 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680927531 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443431394 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742666241 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843727877 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831057 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534506 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715037 (0.000137015% change) linmin: converged after 13 iterations. iteration 11: trace = 5.504370385450815 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323666 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496808 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.50436289709813 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759293 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 11 iterations. iteration 17: trace = 5.504362167575547 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909891 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222036 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716731 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490911 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.504362092362587 (7.05221e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.504362092126025 (4.29773e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030185 (1.74116e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.504362091995295 (6.3385e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.504362091984237 (2.00908e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 5.504362091981041 (5.8057e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.23703670501708984 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373825082 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679624591 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137355 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343179833 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553183559 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996603796 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367568297 (0.0169967% change) linmin: converged after 5 iterations. iteration 8: trace = 5.544438112742482 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685242 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443048 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259977 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189968 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369356 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652972 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647882 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294871 (8.31099e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 5.538868744327788 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490533 (5.88215e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 5.538867707344403 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765355 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460348 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536016 (1.9846e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786738 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688412 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154324 (1.56231e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340489 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035982 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549379 (2.68395e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089991 (8.2939e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 5.538866868883902 (3.72077e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762665 (2.18885e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869319 (1.25432e-09% change) linmin: converged after 10 iterations. iteration 37: trace = 5.538866868641604 (9.31351e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 5.53886686861525 (4.75786e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 5.538866868605674 (1.72893e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 5.538866868600124 (1.00205e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.538866868590845 (1.67522e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573503 (3.13107e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.53886686855931 (2.56229e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 5.538866868553963 (9.6533e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.36942410469055176 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033725794 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081950086 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780908001 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922741898 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083715 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868825 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031304 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.41992205559986 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792473 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788510982 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057774 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.41979814967788 (1.5395e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.419797850965195 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.41979777232279 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546715 (4.38689e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573504 (1.84014e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 5.419797735608428 (5.47082e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088992 (2.80349e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261654 (4.54074e-09% change) linmin: converged after 19 iterations. iteration 23: trace = 5.419797733151182 (2.0383e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102881 (8.91211e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077018 (4.77192e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054171 (4.2154e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031977 (4.09495e-10% change) linmin: converged after 11 iterations. iteration 28: trace = 5.419797733016723 (2.81458e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003432 (2.45225e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.419797732989453 (2.57925e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295839 (9.11974e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.27927231788635254 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585099132 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345182846 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588639 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.2418077735719 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212864 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235880084 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573581 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597575 (0.000700415% change) linmin: converged after 5 iterations. iteration 9: trace = 5.240860283765959 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786508 (6.04696e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.240853968321849 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.24085395436482 (2.66312e-07% change) linmin: converged after 12 iterations. iteration 15: trace = 5.240853950743147 (6.91046e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555016 (2.26706e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179414 (7.16682e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.240853949031687 (2.81876e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.24085394897692 (1.045e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.0697e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.240853948883501 (1.07554e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833728 (9.49705e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802543 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778199 (4.64506e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.24085394875724 (3.99903e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84933e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.2374560832977295 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911023 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052406 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865949 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833583 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986522 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466491 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120979 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978197 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143695 (1.92647e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.096544340283722 (4.11769e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.096544290838736 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659971 (2.58582e-07% change) linmin: converged after 27 iterations. iteration 14: trace = 5.096544274637558 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956439 (1.33643e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766989 (3.71723e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.096544273707481 (1.16761e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.096544273672402 (6.883e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.096544273621833 (9.9221e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.096544273547277 (1.46288e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.096544273463909 (1.63577e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 5.096544273426188 (7.40128e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414491 (2.29515e-10% change) linmin: converged after 12 iterations. iteration 24: trace = 5.096544273410627 (7.58078e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.204695463180542 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910295 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962091 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252318 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301299 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318021 (0.00033539% change) linmin: converged after 4 iterations. iteration 7: trace = 5.006439503863521 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.006436508297349 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318627 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214731 (4.20238e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.006436496812789 (8.0285e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.006436496713438 (1.98446e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 5.006436496673627 (7.95211e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.00643649663291 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.00643649652267 (2.20196e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.006436496410071 (2.24908e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.006436496357244 (1.05518e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344431 (2.55928e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.07088e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.19570279121398926 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422121 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141088 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874303 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931416 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362162 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191584 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125757 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449293 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964262 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705347 (3.92004e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.975984271802612 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495483 (8.65583e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67869e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893699 (5.40341e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.9759842658196 (1.48915e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09636e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706844 (1.35637e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533268 (3.48827e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426867 (2.13829e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74025e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384502 (1.77351e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 4.975984265381786 (5.45832e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.1954348087310791 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627906 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841119 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550624 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251287 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.036378561422621 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.036378480911198 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128372 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954638 (3.44958e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909362 (8.98975e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 5.036378479898017 (2.25255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895269 (5.45635e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.1545271873474121 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168847 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319183 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516233 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118337 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347187 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445577 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487716 (0.00102469% change) linmin: converged after 4 iterations. iteration 8: trace = 5.206579319181463 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211531 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670562 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448368 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491535 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.20656631319213 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082155 (9.81448e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.206566306507289 (3.02477e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.206566306040207 (8.97103e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.206566305927628 (2.16226e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900045 (5.29761e-10% change) linmin: converged after 9 iterations. iteration 20: trace = 5.206566305893729 (1.21322e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891693 (3.90988e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.17935895919799805 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756299256 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812746508 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418302 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552309 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097106 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855439 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333897 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575102 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.417269129397943 (0.00376953% change) linmin: converged after 19 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189903256 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578172142 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464908982 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421746542 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.41708899172898 (7.93817e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207351 (2.46482e-06% change) linmin: converged after 24 iterations. iteration 17: trace = 5.417088812132051 (8.50555e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744644 (4.31734e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389701 (2.28073e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680142 (1.05399e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321103 (4.35481e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370177 (1.75542e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928395 (8.15533e-09% change) linmin: converged after 14 iterations. iteration 24: trace = 5.417088766681347 (4.56053e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554595 (2.33985e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462988 (1.69109e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423706 (7.2514e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.417088766412551 (2.05932e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409223 (6.14353e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.24750137329101562 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178963265 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902365624 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640700445 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154525 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966090901 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860036 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215743 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379306 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667573 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.522540696465827 (0.00197377% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52244653019122 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920782 (0.00159647% change) linmin: converged after 4 iterations. iteration 13: trace = 5.522300787115931 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461676 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167393 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549672 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 5.522267958291781 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808074 (3.61235e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 5.522267691563135 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643987 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937713 (1.93875e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032015 (7.07264e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435007 (4.70279e-08% change) linmin: converged after 10 iterations. iteration 24: trace = 5.522267648929227 (2.72674e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822528 (1.15068e-08% change) linmin: converged after 20 iterations. iteration 28: trace = 5.522267646290371 (9.63657e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.522267645965359 (5.88548e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.933e-09% change) linmin: converged after 21 iterations. iteration 31: trace = 5.522267645716786 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679248 (6.79756e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.522267645667595 (2.11017e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664739 (5.17248e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.28763866424560547 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689229 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941207 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743506 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262819 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766621 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895973 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417231 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947712 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56928995139815 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880775682 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664427668 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528604 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 5 iterations. iteration 14: trace = 5.568684283160605 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673124394 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201645696 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388847308 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784851329 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008464193 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637379566 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630775503 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618219892 (0.0269652% change) linmin: converged after 6 iterations. iteration 23: trace = 5.556960244578814 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586692137 (0.0210687% change) linmin: converged after 11 iterations. iteration 25: trace = 5.554798721109525 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114291557 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036045954 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.55291367705181 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838319057 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970135445 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061047509 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957048896 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590511399 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526843299 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.55104767745647 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.55086432521854 (0.00330307% change) linmin: converged after 3 iterations. iteration 37: trace = 5.550695189106242 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717973279 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745036399 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430588072 (0.00247399% change) linmin: converged after 4 iterations. iteration 41: trace = 5.550124903558373 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421864357 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721827 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756757554 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477362847 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231318406 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437763727 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430746252 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300365399 (0.00122771% change) linmin: converged after 9 iterations. iteration 50: trace = 5.549308831732525 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789545666 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392981155 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424549042 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954206485 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214491745 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603504076 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441534248 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.54889443856868 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472401909 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214375511 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940541609 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719171731 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070148474 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460602359 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157962627 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782878421 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723905469 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403375436 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919715865 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.5483299767457 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222551253 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081092839 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373791868 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.5481483757771 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673476403 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893915 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837047117 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589431601 (7.65593e-05% change) linmin: converged after 7 iterations. iteration 79: trace = 5.548128746383244 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649320182 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114298 (4.88491e-05% change) linmin: converged after 7 iterations. iteration 82: trace = 5.54811900980295 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534397 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882058 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015863 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686877 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428178 (2.20952e-07% change) linmin: converged after 22 iterations. iteration 88: trace = 5.548117726415593 (5.42992e-08% change) linmin: converged after 14 iterations. iteration 89: trace = 5.548117725588877 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372839 (3.89391e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 5.5481177253348 (6.85618e-10% change) linmin: converged after 14 iterations. iteration 92: trace = 5.548117725327048 (1.39723e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 5.548117725324988 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6259775161743164 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448983 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225441 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130756998 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502158 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660679 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650199 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421865 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505268 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502158), 1.773982491242883% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505268), 0.16523267243441023% total elapsed time for run: 5.009098529815674 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepW1wGQn/test_subpixel_averaging-0-epsilon.h5... /tmp/meepW1wGQn/test_subpixel_averaging-0: 5.04s /tmp/meepW1wGQn/test_symmetry_overlap-0 ======================== Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.5> elapsed time for initialization: 0.1362462043762207 solve_kpoint (0.5,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6 Solving for bands 1 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 15.74018598579247 (195.749% change) linmin: converged after 9 iterations. iteration 2: trace = 3.090147276233741 (134.358% change) linmin: converged after 6 iterations. iteration 3: trace = 2.397523720697592 (25.2429% change) linmin: converged after 5 iterations. iteration 4: trace = 2.145761074543338 (11.0828% change) linmin: converged after 5 iterations. iteration 5: trace = 2.068316051370425 (3.67554% change) linmin: converged after 8 iterations. iteration 6: trace = 2.048480958527553 (0.963618% change) linmin: converged after 4 iterations. iteration 7: trace = 2.043452743757674 (0.245762% change) linmin: converged after 4 iterations. iteration 8: trace = 2.041240675569825 (0.10831% change) linmin: converged after 4 iterations. iteration 9: trace = 2.040708177312792 (0.0260904% change) linmin: converged after 4 iterations. iteration 10: trace = 2.04046661825718 (0.0118377% change) linmin: converged after 4 iterations. iteration 11: trace = 2.040385065977973 (0.00399683% change) linmin: converged after 5 iterations. iteration 12: trace = 2.040354111287127 (0.00151711% change) linmin: converged after 5 iterations. iteration 13: trace = 2.040341169825748 (0.000634277% change) linmin: converged after 4 iterations. iteration 14: trace = 2.040337077970384 (0.000200548% change) linmin: converged after 4 iterations. iteration 15: trace = 2.040336153622546 (4.53037e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 2.040335806340867 (1.70208e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 2.040335710845987 (4.68035e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 2.040335672642748 (1.8724e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 2.040335654413369 (8.9345e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 2.04033564824374 (3.02383e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 2.040335646291813 (9.56669e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 2.040335645616535 (3.30964e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 2.040335645457537 (7.79272e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 2.040335645416259 (2.0231e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 2.040335645404144 (5.93806e-10% change) linmin: converged after 8 iterations. iteration 26: trace = 2.040335645401663 (1.21582e-10% change) linmin: converged after 7 iterations. iteration 27: trace = 2.04033564540094 (3.5456e-11% change) Finished solving for bands 1 to 6 after 27 iterations. freqs:, 1, 0.5, 0.5, 0.5, 0.866025, 0.52682, 0.526822, 0.526826, 0.634476, 0.634484, 0.634491 elapsed time for k point: 8.084418535232544 total elapsed time for run: 8.220810174942017 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: zeven. Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.1420609951019287 solve_kpoint (0,0,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6 Solving for bands 2 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 18.95589239481534 (193.84% change) linmin: converged after 13 iterations. iteration 2: trace = 4.039421326965933 (129.735% change) linmin: converged after 5 iterations. iteration 3: trace = 3.237031641771005 (22.0544% change) linmin: converged after 5 iterations. iteration 4: trace = 2.981724017015064 (8.21089% change) linmin: converged after 5 iterations. iteration 5: trace = 2.778779921662633 (7.04605% change) linmin: converged after 6 iterations. iteration 6: trace = 2.64926441347126 (4.77209% change) linmin: converged after 6 iterations. iteration 7: trace = 2.552598023165614 (3.71661% change) linmin: converged after 6 iterations. iteration 8: trace = 2.499992242115614 (2.08233% change) linmin: converged after 6 iterations. iteration 9: trace = 2.48105050631577 (0.760553% change) linmin: converged after 4 iterations. iteration 10: trace = 2.473183610582524 (0.317583% change) linmin: converged after 3 iterations. iteration 11: trace = 2.470951871991011 (0.0902782% change) linmin: converged after 3 iterations. iteration 12: trace = 2.470390583895092 (0.022718% change) linmin: converged after 4 iterations. iteration 13: trace = 2.470176090620024 (0.00868294% change) linmin: converged after 3 iterations. iteration 14: trace = 2.470105989373041 (0.00283795% change) linmin: converged after 3 iterations. iteration 15: trace = 2.470088975297664 (0.000688802% change) linmin: converged after 3 iterations. iteration 16: trace = 2.470086848276982 (8.61111e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 2.470086726387074 (4.93464e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 2.470086678531699 (1.9374e-06% change) linmin: converged after 8 iterations. iteration 19: trace = 2.470086646747175 (1.28678e-06% change) linmin: converged after 7 iterations. iteration 20: trace = 2.470086621328257 (1.02907e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 2.470086599230563 (8.94612e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 2.47008657915921 (8.12577e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 2.470086560435112 (7.58034e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 2.470086542626204 (7.20983e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 2.470086525398649 (6.97447e-07% change) linmin: converged after 5 iterations. iteration 26: trace = 2.470086508443824 (6.86406e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 2.470086491432143 (6.88708e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 2.470086473971002 (7.06904e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 2.470086455551535 (7.45701e-07% change) linmin: converged after 6 iterations. iteration 30: trace = 2.470086435461979 (8.13314e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 2.470086412632977 (9.24219e-07% change) linmin: converged after 9 iterations. iteration 32: trace = 2.470086385334086 (1.10518e-06% change) linmin: converged after 6 iterations. iteration 33: trace = 2.470086350578635 (1.40705e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 2.470086303711511 (1.89739e-06% change) linmin: converged after 9 iterations. iteration 35: trace = 2.470086256803555 (1.89904e-06% change) linmin: converged after 4 iterations. iteration 36: trace = 2.47008623776935 (7.70589e-07% change) linmin: converged after 5 iterations. iteration 37: trace = 2.470086227711379 (4.07191e-07% change) linmin: converged after 5 iterations. iteration 38: trace = 2.470086220769931 (2.8102e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 2.47008621531278 (2.2093e-07% change) linmin: converged after 5 iterations. iteration 40: trace = 2.470086210703879 (1.86589e-07% change) linmin: converged after 4 iterations. iteration 41: trace = 2.470086206637632 (1.6462e-07% change) linmin: converged after 3 iterations. iteration 42: trace = 2.470086202945016 (1.49493e-07% change) linmin: converged after 4 iterations. iteration 43: trace = 2.470086199523802 (1.38506e-07% change) linmin: converged after 24 iterations. iteration 44: trace = 2.470086196306494 (1.30251e-07% change) linmin: converged after 4 iterations. iteration 45: trace = 2.470086193246647 (1.23876e-07% change) linmin: converged after 5 iterations. iteration 46: trace = 2.47008619031115 (1.18842e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 2.470086187474029 (1.14859e-07% change) linmin: converged after 5 iterations. iteration 48: trace = 2.470086184714984 (1.11698e-07% change) linmin: converged after 19 iterations. iteration 49: trace = 2.470086182017477 (1.09207e-07% change) linmin: converged after 5 iterations. iteration 50: trace = 2.470086179364021 (1.07424e-07% change) linmin: converged after 5 iterations. iteration 51: trace = 2.470086176748766 (1.05877e-07% change) linmin: converged after 3 iterations. iteration 52: trace = 2.470086174156854 (1.04932e-07% change) linmin: converged after 5 iterations. iteration 53: trace = 2.470086171577305 (1.04432e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 2.470086168999725 (1.04352e-07% change) linmin: converged after 4 iterations. iteration 55: trace = 2.470086166413263 (1.04711e-07% change) linmin: converged after 14 iterations. iteration 56: trace = 2.470086163806815 (1.05521e-07% change) linmin: converged after 2 iterations. iteration 57: trace = 2.470086161167222 (1.06862e-07% change) linmin: converged after 6 iterations. iteration 58: trace = 2.470086158483813 (1.08636e-07% change) linmin: converged after 5 iterations. iteration 59: trace = 2.470086155740855 (1.11047e-07% change) linmin: converged after 9 iterations. iteration 60: trace = 2.47008615292155 (1.14138e-07% change) linmin: converged after 5 iterations. iteration 61: trace = 2.470086150004424 (1.18098e-07% change) linmin: converged after 4 iterations. iteration 62: trace = 2.470086146969533 (1.22866e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 2.470086143785872 (1.28889e-07% change) linmin: converged after 4 iterations. iteration 64: trace = 2.47008614041639 (1.36412e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 2.470086136812605 (1.45897e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 2.470086132907949 (1.58078e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 2.470086128607731 (1.74092e-07% change) linmin: converged after 6 iterations. iteration 68: trace = 2.470086123769016 (1.95893e-07% change) linmin: converged after 7 iterations. iteration 69: trace = 2.470086118164466 (2.26897e-07% change) resetting CG direction... large trace change predicted (5.08603e-06%) linmin: converged after 4 iterations. iteration 70: trace = 2.470085992400669 (5.09147e-06% change) linmin: converged after 4 iterations. iteration 71: trace = 2.470085917448889 (3.03438e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 2.470085857053265 (2.44508e-06% change) linmin: converged after 6 iterations. iteration 73: trace = 2.470085794438092 (2.53494e-06% change) linmin: converged after 5 iterations. iteration 74: trace = 2.470085684668995 (4.44394e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 2.470085666287631 (7.44159e-07% change) linmin: converged after 4 iterations. iteration 76: trace = 2.4700856596728 (2.67798e-07% change) linmin: converged after 5 iterations. iteration 77: trace = 2.470085656867853 (1.13557e-07% change) linmin: converged after 8 iterations. iteration 78: trace = 2.470085655594137 (5.15656e-08% change) linmin: converged after 4 iterations. iteration 79: trace = 2.470085654994737 (2.42664e-08% change) linmin: converged after 4 iterations. iteration 80: trace = 2.47008565470676 (1.16586e-08% change) linmin: converged after 6 iterations. iteration 81: trace = 2.470085654567004 (5.65793e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 2.470085654498814 (2.76065e-09% change) linmin: converged after 5 iterations. iteration 83: trace = 2.470085654465378 (1.35365e-09% change) linmin: converged after 5 iterations. iteration 84: trace = 2.470085654449123 (6.58038e-10% change) linmin: converged after 7 iterations. iteration 85: trace = 2.470085654441224 (3.19787e-10% change) linmin: converged after 17 iterations. iteration 86: trace = 2.470085654437408 (1.54509e-10% change) linmin: converged after 10 iterations. iteration 87: trace = 2.47008565443566 (7.07642e-11% change) Finished solving for bands 2 to 6 after 87 iterations. zevenfreqs:, 1, 0, 0, 0, 0, 0, 0.54855, 0.707218, 0.707226, 0.764464, 0.764492 elapsed time for k point: 18.444759845733643 total elapsed time for run: 18.586982250213623 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: zodd. Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.13570952415466309 solve_kpoint (0,0,0): zoddfreqs:, k index, k1, k2, k3, kmag/2pi, zodd band 1, zodd band 2, zodd band 3, zodd band 4, zodd band 5, zodd band 6 Solving for bands 2 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 18.02221847556454 (194.149% change) linmin: converged after 12 iterations. iteration 2: trace = 3.36332420311452 (137.092% change) linmin: converged after 5 iterations. iteration 3: trace = 2.753285428763876 (19.947% change) linmin: converged after 5 iterations. iteration 4: trace = 2.542376250784797 (7.96536% change) linmin: converged after 7 iterations. iteration 5: trace = 2.460265280306879 (3.2827% change) linmin: converged after 5 iterations. iteration 6: trace = 2.396838326976479 (2.61172% change) linmin: converged after 5 iterations. iteration 7: trace = 2.342633507615576 (2.28738% change) linmin: converged after 9 iterations. iteration 8: trace = 2.313897281250146 (1.23423% change) linmin: converged after 5 iterations. iteration 9: trace = 2.300812929609125 (0.567071% change) linmin: converged after 4 iterations. iteration 10: trace = 2.29632730767962 (0.195148% change) linmin: converged after 3 iterations. iteration 11: trace = 2.294758109431993 (0.0683585% change) linmin: converged after 4 iterations. iteration 12: trace = 2.294135222392092 (0.0271476% change) linmin: converged after 4 iterations. iteration 13: trace = 2.293938668029888 (0.00856806% change) linmin: converged after 4 iterations. iteration 14: trace = 2.293826788588997 (0.0048773% change) linmin: converged after 6 iterations. iteration 15: trace = 2.293758588338937 (0.00297325% change) linmin: converged after 4 iterations. iteration 16: trace = 2.293694194409524 (0.00280739% change) linmin: converged after 6 iterations. iteration 17: trace = 2.293618199024539 (0.00331329% change) linmin: converged after 5 iterations. iteration 18: trace = 2.29352806988315 (0.00392964% change) linmin: converged after 4 iterations. iteration 19: trace = 2.29345100723322 (0.00336006% change) linmin: converged after 14 iterations. iteration 20: trace = 2.293406432530159 (0.00194358% change) linmin: converged after 4 iterations. iteration 21: trace = 2.293384561761179 (0.000953641% change) linmin: converged after 11 iterations. iteration 22: trace = 2.29337374349167 (0.000471717% change) linmin: converged after 5 iterations. iteration 23: trace = 2.293370474412548 (0.000142545% change) linmin: converged after 4 iterations. iteration 24: trace = 2.293369520041745 (4.16143e-05% change) linmin: converged after 14 iterations. iteration 25: trace = 2.293369112325186 (1.77781e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 2.293368934277082 (7.7636e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 2.293368844735891 (3.90435e-06% change) linmin: converged after 5 iterations. iteration 28: trace = 2.293368821072311 (1.03183e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 2.293368820581051 (2.14209e-08% change) linmin: converged after 12 iterations. iteration 30: trace = 2.293368820563558 (7.6277e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 2.293368820562582 (4.25622e-11% change) Finished solving for bands 2 to 6 after 31 iterations. zoddfreqs:, 1, 0, 0, 0, 0, 0, 0.548559, 0.548564, 0.707153, 0.764183, 0.779416 .elapsed time for k point: 6.612443923950195 total elapsed time for run: 6.748326063156128 done /tmp/meepW1wGQn/test_symmetry_overlap-0: 34.90s /tmp/meepW1wGQn/test_tri_holes-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.45, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.006998777389526367 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 13.34289714972895 (194.943% change) linmin: converged after 7 iterations. iteration 2: trace = 5.883288708168696 (77.5984% change) linmin: converged after 5 iterations. iteration 3: trace = 5.044755956652264 (15.3464% change) linmin: converged after 5 iterations. iteration 4: trace = 4.759186801709495 (5.8256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.648502384223169 (2.35306% change) linmin: converged after 5 iterations. iteration 6: trace = 4.573735188935823 (1.62145% change) linmin: converged after 5 iterations. iteration 7: trace = 4.525096086376149 (1.06913% change) linmin: converged after 5 iterations. iteration 8: trace = 4.490878663187865 (0.75904% change) linmin: converged after 5 iterations. iteration 9: trace = 4.471972673158224 (0.421874% change) linmin: converged after 4 iterations. iteration 10: trace = 4.463100096502825 (0.198601% change) linmin: converged after 5 iterations. iteration 11: trace = 4.457774835855647 (0.119389% change) linmin: converged after 4 iterations. iteration 12: trace = 4.455553733636291 (0.0498378% change) linmin: converged after 4 iterations. iteration 13: trace = 4.454264949858793 (0.0289295% change) linmin: converged after 4 iterations. iteration 14: trace = 4.453628568036766 (0.014288% change) linmin: converged after 4 iterations. iteration 15: trace = 4.453292324411065 (0.00755017% change) linmin: converged after 4 iterations. iteration 16: trace = 4.453169254637682 (0.00276361% change) linmin: converged after 4 iterations. iteration 17: trace = 4.453124198333841 (0.00101179% change) linmin: converged after 5 iterations. iteration 18: trace = 4.45309770854456 (0.00059486% change) linmin: converged after 5 iterations. iteration 19: trace = 4.453064686036349 (0.000741565% change) large trace change predicted (0.00167871%) linmin: converged after 6 iterations. iteration 20: trace = 4.452989908418399 (0.00167925% change) large trace change predicted (0.00355348%) linmin: converged after 6 iterations. iteration 21: trace = 4.452831698851184 (0.00355295% change) linmin: converged after 5 iterations. iteration 22: trace = 4.452615931161875 (0.00484575% change) linmin: converged after 5 iterations. iteration 23: trace = 4.452445091443099 (0.00383691% change) linmin: converged after 4 iterations. iteration 24: trace = 4.452296186459313 (0.0033444% change) linmin: converged after 4 iterations. iteration 25: trace = 4.452144807924308 (0.00340007% change) linmin: converged after 4 iterations. iteration 26: trace = 4.45202801093946 (0.00262342% change) linmin: converged after 4 iterations. iteration 27: trace = 4.451974702506442 (0.0011974% change) linmin: converged after 4 iterations. iteration 28: trace = 4.451958340678135 (0.000367519% change) linmin: converged after 4 iterations. iteration 29: trace = 4.451953421811339 (0.000110488% change) linmin: converged after 5 iterations. iteration 30: trace = 4.451951355109324 (4.64224e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.451950388859551 (2.1704e-05% change) linmin: converged after 6 iterations. iteration 32: trace = 4.45194993512548 (1.01918e-05% change) linmin: converged after 12 iterations. iteration 33: trace = 4.451949721655542 (4.79498e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 4.451949638044886 (1.87807e-06% change) linmin: converged after 3 iterations. iteration 35: trace = 4.451949603091656 (7.85122e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 4.45194958712588 (3.58624e-07% change) linmin: converged after 9 iterations. iteration 37: trace = 4.451949578415238 (1.95659e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 4.451949573498258 (1.10446e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 4.451949570787713 (6.08844e-08% change) linmin: converged after 2 iterations. iteration 40: trace = 4.451949569044135 (3.91644e-08% change) linmin: converged after 26 iterations. iteration 41: trace = 4.451949566781055 (5.08335e-08% change) linmin: converged after 6 iterations. iteration 42: trace = 4.451949562368264 (9.91204e-08% change) large trace change predicted (2.08753e-07%) linmin: converged after 2 iterations. iteration 43: trace = 4.451949553074668 (2.08753e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 4.451949540843169 (2.74745e-07% change) linmin: converged after 4 iterations. iteration 45: trace = 4.451949529999751 (2.43566e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 4.451949523238191 (1.51879e-07% change) linmin: converged after 25 iterations. iteration 47: trace = 4.45194951915903 (9.16264e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 4.451949516240819 (6.55491e-08% change) linmin: converged after 3 iterations. iteration 49: trace = 4.45194951443219 (4.06255e-08% change) linmin: converged after 3 iterations. iteration 50: trace = 4.45194951368181 (1.68551e-08% change) linmin: converged after 4 iterations. iteration 51: trace = 4.451949513453069 (5.13799e-09% change) linmin: converged after 2 iterations. iteration 52: trace = 4.451949513392954 (1.35032e-09% change) linmin: converged after 4 iterations. iteration 53: trace = 4.451949513373067 (4.46708e-10% change) linmin: converged after 8 iterations. iteration 54: trace = 4.451949513363682 (2.10795e-10% change) linmin: converged after 7 iterations. iteration 55: trace = 4.451949513358437 (1.17827e-10% change) linmin: converged after 2 iterations. iteration 56: trace = 4.451949513355892 (5.71577e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 elapsed time for k point: 0.3824653625488281 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.475944467099572 (0.531645% change) linmin: converged after 4 iterations. iteration 2: trace = 4.470049557594563 (0.131789% change) linmin: converged after 3 iterations. iteration 3: trace = 4.468237947787643 (0.0405359% change) linmin: converged after 3 iterations. iteration 4: trace = 4.467329142624292 (0.0203413% change) linmin: converged after 4 iterations. iteration 5: trace = 4.466696419434603 (0.0141643% change) linmin: converged after 4 iterations. iteration 6: trace = 4.46626734953855 (0.00960644% change) linmin: converged after 4 iterations. iteration 7: trace = 4.465882292052914 (0.00862183% change) linmin: converged after 4 iterations. iteration 8: trace = 4.465603095607038 (0.00625196% change) linmin: converged after 3 iterations. iteration 9: trace = 4.465254970933802 (0.007796% change) large trace change predicted (0.015835%) linmin: converged after 3 iterations. iteration 10: trace = 4.464548380093908 (0.0158255% change) large trace change predicted (0.0385932%) linmin: converged after 6 iterations. iteration 11: trace = 4.462859568856345 (0.0378343% change) linmin: converged after 7 iterations. iteration 12: trace = 4.460811970321332 (0.0458914% change) linmin: converged after 5 iterations. iteration 13: trace = 4.459584283496438 (0.0275254% change) linmin: converged after 4 iterations. iteration 14: trace = 4.459118661372686 (0.0104415% change) linmin: converged after 3 iterations. iteration 15: trace = 4.45896442120355 (0.00345904% change) linmin: converged after 4 iterations. iteration 16: trace = 4.458929960317755 (0.000772848% change) linmin: converged after 3 iterations. iteration 17: trace = 4.458912092720544 (0.000400716% change) linmin: converged after 3 iterations. iteration 18: trace = 4.458904032326882 (0.000180771% change) linmin: converged after 3 iterations. iteration 19: trace = 4.458899161068001 (0.000109248% change) linmin: converged after 4 iterations. iteration 20: trace = 4.458897017337534 (4.80776e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 4.45889596074215 (2.36963e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 4.458895419240202 (1.21443e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 4.458895086272839 (7.46749e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.458894672865884 (9.27151e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 4.458893966776456 (1.58355e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 4.458892812032072 (2.58976e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.458891509285483 (2.92168e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.45889047361336 (2.32271e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 4.458889874545113 (1.34354e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 4.458889622685396 (5.64848e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 4.458889526435808 (2.1586e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 4.458889488492753 (8.50953e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 4.458889473720162 (3.31307e-07% change) linmin: converged after 5 iterations. iteration 34: trace = 4.458889468163886 (1.24611e-07% change) linmin: converged after 21 iterations. iteration 35: trace = 4.458889466116734 (4.59117e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 4.458889465242261 (1.96119e-08% change) linmin: converged after 25 iterations. iteration 37: trace = 4.458889464752227 (1.099e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 4.45888946446319 (6.48227e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 4.458889464280359 (4.10036e-09% change) linmin: converged after 4 iterations. iteration 40: trace = 4.458889464100619 (4.03104e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 4.458889463833423 (5.99243e-09% change) linmin: converged after 14 iterations. iteration 42: trace = 4.458889463451222 (8.57166e-09% change) linmin: converged after 16 iterations. iteration 43: trace = 4.458889462992346 (1.02913e-08% change) linmin: converged after 2 iterations. iteration 44: trace = 4.458889462497345 (1.11014e-08% change) linmin: converged after 4 iterations. iteration 45: trace = 4.45888946213958 (8.02364e-09% change) linmin: converged after 20 iterations. iteration 46: trace = 4.458889461932953 (4.63404e-09% change) linmin: converged after 19 iterations. iteration 47: trace = 4.458889461821259 (2.50499e-09% change) linmin: converged after 18 iterations. iteration 48: trace = 4.458889461773401 (1.07331e-09% change) linmin: converged after 6 iterations. iteration 49: trace = 4.458889461754985 (4.13006e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 4.458889461749079 (1.32463e-10% change) linmin: converged after 6 iterations. iteration 51: trace = 4.458889461747202 (4.20894e-11% change) Finished solving for bands 1 to 8 after 51 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.0694821, 0.652351, 0.679959, 0.706966, 0.760813, 0.839484, 0.84298, 1.03546 elapsed time for k point: 0.4301278591156006 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.492158134807229 (0.545791% change) linmin: converged after 5 iterations. iteration 2: trace = 4.485756356466237 (0.142612% change) linmin: converged after 4 iterations. iteration 3: trace = 4.483597723194651 (0.0481335% change) linmin: converged after 4 iterations. iteration 4: trace = 4.48268883895878 (0.0202734% change) linmin: converged after 4 iterations. iteration 5: trace = 4.48228905222401 (0.00891886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.482111886539933 (0.00395265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.4819890426195 (0.0027408% change) linmin: converged after 5 iterations. iteration 8: trace = 4.481900761943337 (0.0019697% change) linmin: converged after 4 iterations. iteration 9: trace = 4.481819566982916 (0.00181164% change) linmin: converged after 4 iterations. iteration 10: trace = 4.481727172834917 (0.00206155% change) linmin: converged after 4 iterations. iteration 11: trace = 4.481640274020385 (0.00193898% change) linmin: converged after 4 iterations. iteration 12: trace = 4.481586984826243 (0.00118906% change) linmin: converged after 4 iterations. iteration 13: trace = 4.481566235482785 (0.000462992% change) linmin: converged after 4 iterations. iteration 14: trace = 4.481558614049642 (0.000170062% change) linmin: converged after 4 iterations. iteration 15: trace = 4.481555960259467 (5.92158e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 4.481555115788882 (1.88432e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 4.481554758617261 (7.96981e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.481554675435279 (1.8561e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.481554649662211 (5.75092e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.481554642967496 (1.49384e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 4.481554640848135 (4.72908e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 4.481554640163111 (1.52854e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 4.481554639855199 (6.87065e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.481554639686856 (3.75637e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.481554639614044 (1.62468e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.48155463958996 (5.37419e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 4.481554639582893 (1.57676e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.481554639580308 (5.76918e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.137272, 0.615214, 0.658316, 0.688898, 0.777327, 0.869983, 0.879951, 1.02022 elapsed time for k point: 0.23778700828552246 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.543019728981165 (0.515577% change) linmin: converged after 4 iterations. iteration 2: trace = 4.537380948824094 (0.124197% change) linmin: converged after 4 iterations. iteration 3: trace = 4.535410322886912 (0.0434403% change) linmin: converged after 4 iterations. iteration 4: trace = 4.534688093374223 (0.0159255% change) linmin: converged after 4 iterations. iteration 5: trace = 4.53440737258149 (0.00619071% change) linmin: converged after 4 iterations. iteration 6: trace = 4.53431448391389 (0.00204855% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534272775349621 (0.000919847% change) linmin: converged after 4 iterations. iteration 8: trace = 4.534256408390521 (0.000360962% change) linmin: converged after 4 iterations. iteration 9: trace = 4.534250296428465 (0.000134795% change) linmin: converged after 5 iterations. iteration 10: trace = 4.534247094429849 (7.06181e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.534244850399098 (4.94907e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 4.534242751424713 (4.62916e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.534241209054213 (3.40161e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.534240295109202 (2.01565e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.534239883207021 (9.08426e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.534239659653622 (4.93034e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.534239494917879 (3.63315e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 4.534239415265834 (1.75668e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.534239379667365 (7.85103e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.534239370364452 (2.0517e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 4.534239368024676 (5.16024e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 4.534239367497575 (1.16249e-08% change) linmin: converged after 6 iterations. iteration 23: trace = 4.534239367336919 (3.54316e-09% change) linmin: converged after 7 iterations. iteration 24: trace = 4.534239367284076 (1.16542e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.534239367267453 (3.66614e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 4.534239367261494 (1.31437e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 4.534239367259119 (5.23594e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.200458, 0.560713, 0.652934, 0.672026, 0.788475, 0.905474, 0.920288, 1.00658 elapsed time for k point: 0.22940492630004883 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.621404992360755 (0.557147% change) linmin: converged after 4 iterations. iteration 2: trace = 4.614041347472131 (0.159465% change) linmin: converged after 4 iterations. iteration 3: trace = 4.610477696469378 (0.0772648% change) linmin: converged after 4 iterations. iteration 4: trace = 4.608710813616172 (0.0383306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.60786323375086 (0.0183925% change) linmin: converged after 4 iterations. iteration 6: trace = 4.60753154420753 (0.0071986% change) linmin: converged after 4 iterations. iteration 7: trace = 4.607374227312676 (0.0034144% change) linmin: converged after 4 iterations. iteration 8: trace = 4.607318349687509 (0.00121279% change) linmin: converged after 4 iterations. iteration 9: trace = 4.607296971209915 (0.000464012% change) linmin: converged after 5 iterations. iteration 10: trace = 4.607286359307772 (0.000230328% change) linmin: converged after 5 iterations. iteration 11: trace = 4.607280058156611 (0.000136765% change) linmin: converged after 5 iterations. iteration 12: trace = 4.607276056851983 (8.68475e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.607274338045174 (3.73064e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 4.607273686828303 (1.41345e-05% change) linmin: converged after 6 iterations. iteration 15: trace = 4.607273491056453 (4.24919e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.607273423326329 (1.47007e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.607273396454814 (5.83241e-07% change) linmin: converged after 25 iterations. iteration 18: trace = 4.607273383999476 (2.70341e-07% change) linmin: converged after 10 iterations. iteration 19: trace = 4.607273373222178 (2.33919e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.60727336383791 (2.03684e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.607273356409602 (1.6123e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.607273352713722 (8.02184e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 4.607273351035135 (3.64334e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.607273350488986 (1.18541e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 4.607273350318342 (3.70381e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.607273350261749 (1.22834e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 4.607273350235114 (5.78101e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 4.607273350217993 (3.71598e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.607273350209263 (1.895e-10% change) linmin: converged after 9 iterations. iteration 30: trace = 4.607273350205849 (7.40844e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.251902, 0.513413, 0.649737, 0.660743, 0.79604, 0.93646, 0.952374, 1.00191 elapsed time for k point: 0.2546999454498291 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.6924382861689 (0.712878% change) linmin: converged after 5 iterations. iteration 2: trace = 4.678587559254055 (0.295607% change) linmin: converged after 5 iterations. iteration 3: trace = 4.669219826088978 (0.200426% change) linmin: converged after 5 iterations. iteration 4: trace = 4.662995938253957 (0.133385% change) linmin: converged after 4 iterations. iteration 5: trace = 4.659382161772978 (0.0775291% change) linmin: converged after 4 iterations. iteration 6: trace = 4.65741179558395 (0.0422971% change) linmin: converged after 4 iterations. iteration 7: trace = 4.656216146535338 (0.0256753% change) linmin: converged after 4 iterations. iteration 8: trace = 4.655574406992091 (0.0137834% change) linmin: converged after 4 iterations. iteration 9: trace = 4.655148468920474 (0.00914941% change) linmin: converged after 4 iterations. iteration 10: trace = 4.654836684042865 (0.00669786% change) linmin: converged after 4 iterations. iteration 11: trace = 4.654665296959442 (0.00368198% change) linmin: converged after 4 iterations. iteration 12: trace = 4.654604621969609 (0.00130354% change) linmin: converged after 4 iterations. iteration 13: trace = 4.654589608102708 (0.00032256% change) linmin: converged after 10 iterations. iteration 14: trace = 4.654585491988873 (8.84313e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.654584391757204 (2.36376e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 4.654584007912293 (8.2466e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.65458387209961 (2.91783e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.654583818003233 (1.16222e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.654583786952037 (6.6711e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.654583768788855 (3.90221e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.654583758229801 (2.26853e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.654583754130681 (8.80663e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.654583752195755 (4.15703e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.65458375096856 (2.63653e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 4.654583749955046 (2.17745e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 4.654583749144855 (1.74063e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 4.654583748504245 (1.3763e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 4.654583748161554 (7.36245e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 4.654583748037949 (2.65554e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.654583747984034 (1.15834e-09% change) linmin: converged after 5 iterations. iteration 31: trace = 4.654583747952656 (6.74122e-10% change) linmin: converged after 5 iterations. iteration 32: trace = 4.65458374793277 (4.27242e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 4.65458374792053 (2.62966e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 4.65458374791425 (1.34908e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.654583747911484 (5.94207e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.274155, 0.492434, 0.648615, 0.656803, 0.798817, 0.949956, 0.963485, 1.00797 elapsed time for k point: 0.295013427734375 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.663405538595315 (0.126187% change) linmin: converged after 4 iterations. iteration 2: trace = 4.661028794315408 (0.0509788% change) linmin: converged after 4 iterations. iteration 3: trace = 4.659462455612738 (0.0336106% change) linmin: converged after 4 iterations. iteration 4: trace = 4.658444596655566 (0.0218474% change) linmin: converged after 4 iterations. iteration 5: trace = 4.65801818697911 (0.0091539% change) linmin: converged after 4 iterations. iteration 6: trace = 4.657889867112096 (0.00275485% change) linmin: converged after 4 iterations. iteration 7: trace = 4.657833401920465 (0.00121226% change) linmin: converged after 4 iterations. iteration 8: trace = 4.657812047553692 (0.000458462% change) linmin: converged after 5 iterations. iteration 9: trace = 4.657804893687838 (0.000153589% change) linmin: converged after 2 iterations. iteration 10: trace = 4.657803287529443 (3.44832e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.657802747123328 (1.16022e-05% change) linmin: converged after 11 iterations. iteration 12: trace = 4.65780258315483 (3.5203e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 4.657802512506779 (1.51677e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.657802482770922 (6.3841e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 4.657802459850057 (4.92096e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 4.657802440944285 (4.05895e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 4.657802424135099 (3.60882e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.657802413141309 (2.3603e-07% change) linmin: converged after 30 iterations. iteration 19: trace = 4.657802408226827 (1.05511e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.657802405927222 (4.9371e-08% change) linmin: converged after 6 iterations. iteration 21: trace = 4.657802404388955 (3.30256e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 4.65780240352362 (1.85782e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 4.657802403119729 (8.67128e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.657802402939372 (3.87215e-09% change) linmin: converged after 5 iterations. iteration 25: trace = 4.657802402884991 (1.16751e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.657802402867801 (3.69073e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 4.657802402862907 (1.05068e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.657802402861523 (2.97089e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.276103, 0.493884, 0.623964, 0.680084, 0.79654, 0.952442, 0.963435, 1.00796 elapsed time for k point: 0.23810124397277832 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.672735728067052 (0.129732% change) linmin: converged after 4 iterations. iteration 2: trace = 4.67021393569564 (0.0539828% change) linmin: converged after 9 iterations. iteration 3: trace = 4.668592631123635 (0.0347219% change) linmin: converged after 4 iterations. iteration 4: trace = 4.667637099611482 (0.0204693% change) linmin: converged after 4 iterations. iteration 5: trace = 4.66726454513895 (0.00798197% change) linmin: converged after 4 iterations. iteration 6: trace = 4.667162918370012 (0.00217746% change) linmin: converged after 4 iterations. iteration 7: trace = 4.667121297309039 (0.000891789% change) linmin: converged after 4 iterations. iteration 8: trace = 4.667105889510086 (0.000330136% change) linmin: converged after 5 iterations. iteration 9: trace = 4.66709960868689 (0.000134576% change) linmin: converged after 4 iterations. iteration 10: trace = 4.667097710975299 (4.06615e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.667096867241912 (1.80783e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.667096564921277 (6.4777e-06% change) linmin: converged after 17 iterations. iteration 13: trace = 4.66709642353641 (3.0294e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.667096341918572 (1.74879e-06% change) linmin: converged after 7 iterations. iteration 15: trace = 4.667096252445049 (1.91711e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.667096174501445 (1.67007e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.667096128228495 (9.91472e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 4.667096109587978 (3.99403e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 4.667096103667992 (1.26845e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.667096101434447 (4.78573e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 4.667096100309835 (2.40966e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 4.66709609966339 (1.38511e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 4.667096099284752 (8.11293e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.667096099089911 (4.17477e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.667096099007761 (1.7602e-09% change) linmin: converged after 8 iterations. iteration 26: trace = 4.66709609896476 (9.21369e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.667096098939571 (5.39709e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 4.667096098919735 (4.2503e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.667096098902285 (3.73876e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 4.667096098892168 (2.16778e-10% change) linmin: converged after 7 iterations. iteration 31: trace = 4.667096098888669 (7.49807e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.281494, 0.498189, 0.595471, 0.70467, 0.790197, 0.959226, 0.963379, 1.00792 elapsed time for k point: 0.26270556449890137 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.687244093027907 (0.138258% change) linmin: converged after 4 iterations. iteration 2: trace = 4.68450112164602 (0.058537% change) linmin: converged after 5 iterations. iteration 3: trace = 4.68286993057584 (0.0348271% change) linmin: converged after 4 iterations. iteration 4: trace = 4.682034068315993 (0.017851% change) linmin: converged after 4 iterations. iteration 5: trace = 4.681730640008877 (0.0064809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.681655106922158 (0.00161337% change) linmin: converged after 3 iterations. iteration 7: trace = 4.681629472566332 (0.000547551% change) linmin: converged after 4 iterations. iteration 8: trace = 4.681621443726057 (0.000171497% change) linmin: converged after 4 iterations. iteration 9: trace = 4.681618077224046 (7.19089e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.681616737998127 (2.86061e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.681615858546381 (1.87852e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.681615429378909 (9.16708e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 4.681615194362376 (5.01999e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.68161503971206 (3.30335e-06% change) linmin: converged after 11 iterations. iteration 15: trace = 4.681614869242027 (3.64127e-06% change) linmin: converged after 7 iterations. iteration 16: trace = 4.681614726230352 (3.05475e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.68161465804141 (1.45653e-06% change) linmin: converged after 16 iterations. iteration 18: trace = 4.681614630400919 (5.90405e-07% change) linmin: converged after 7 iterations. iteration 19: trace = 4.681614620951702 (2.01837e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.681614615856847 (1.08827e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.681614612123165 (7.9752e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.681614608813804 (7.06884e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.681614606613888 (4.69906e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.681614605684862 (1.98441e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 4.681614605285608 (8.52813e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 4.681614605099327 (3.979e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 4.68161460502498 (1.58806e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 4.681614605000403 (5.24964e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 4.681614604988976 (2.44089e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.681614604983467 (1.17662e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 4.681614604980837 (5.6194e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.288945, 0.505245, 0.568143, 0.726282, 0.780907, 0.962873, 0.969263, 1.00805 elapsed time for k point: 0.262470006942749 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.70568345023775 (0.150475% change) linmin: converged after 4 iterations. iteration 2: trace = 4.70269396740156 (0.0635494% change) linmin: converged after 4 iterations. iteration 3: trace = 4.701070860687476 (0.0345204% change) linmin: converged after 4 iterations. iteration 4: trace = 4.700326710703613 (0.0158306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.700066397546436 (0.00553835% change) linmin: converged after 4 iterations. iteration 6: trace = 4.699999664101896 (0.00141985% change) linmin: converged after 3 iterations. iteration 7: trace = 4.699978616959857 (0.000447813% change) linmin: converged after 4 iterations. iteration 8: trace = 4.699972034550042 (0.000140052% change) linmin: converged after 4 iterations. iteration 9: trace = 4.699969000631853 (6.45519e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.699967170930617 (3.89301e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.699965319407621 (3.93944e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 4.699964030427187 (2.74253e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.699963193700009 (1.78028e-05% change) linmin: converged after 13 iterations. iteration 14: trace = 4.699962560785263 (1.34664e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.699961832691125 (1.54915e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 4.699961225600847 (1.29169e-05% change) linmin: converged after 14 iterations. iteration 17: trace = 4.699960906583675 (6.78766e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.699960737235776 (3.60318e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.699960644725975 (1.96831e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.699960592889879 (1.1029e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 4.69996056406678 (6.13263e-07% change) linmin: converged after 21 iterations. iteration 22: trace = 4.699960551853531 (2.59859e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 4.699960547235488 (9.82571e-08% change) linmin: converged after 19 iterations. iteration 24: trace = 4.699960545971036 (2.69035e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 4.699960545396198 (1.22307e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 4.699960545062296 (7.10437e-09% change) linmin: converged after 12 iterations. iteration 27: trace = 4.699960544894043 (3.57988e-09% change) linmin: converged after 5 iterations. iteration 28: trace = 4.699960544831156 (1.33802e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.699960544805099 (5.54417e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.699960544792846 (2.60692e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 4.699960544786447 (1.36157e-10% change) linmin: converged after 16 iterations. iteration 32: trace = 4.699960544782283 (8.85918e-11% change) Finished solving for bands 1 to 8 after 32 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.29604, 0.514888, 0.544209, 0.744263, 0.76985, 0.962861, 0.978949, 1.00946 elapsed time for k point: 0.2717409133911133 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.726091835500661 (0.165622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.722802797488161 (0.0696174% change) linmin: converged after 4 iterations. iteration 3: trace = 4.721109191082748 (0.0358666% change) linmin: converged after 4 iterations. iteration 4: trace = 4.720325201505454 (0.0166074% change) linmin: converged after 4 iterations. iteration 5: trace = 4.720028727987462 (0.00628098% change) linmin: converged after 4 iterations. iteration 6: trace = 4.719918630342624 (0.00233259% change) linmin: converged after 4 iterations. iteration 7: trace = 4.719865321781151 (0.00112944% change) linmin: converged after 4 iterations. iteration 8: trace = 4.719831657786114 (0.000713243% change) linmin: converged after 4 iterations. iteration 9: trace = 4.719807413351391 (0.000513673% change) linmin: converged after 4 iterations. iteration 10: trace = 4.719790508678003 (0.000358165% change) linmin: converged after 5 iterations. iteration 11: trace = 4.719779814600868 (0.00022658% change) linmin: converged after 6 iterations. iteration 12: trace = 4.719770348469239 (0.000200563% change) linmin: converged after 5 iterations. iteration 13: trace = 4.719756280304192 (0.000298069% change) large trace change predicted (0.000793235%) linmin: converged after 4 iterations. iteration 14: trace = 4.71971887629147 (0.000792502% change) large trace change predicted (0.00173209%) linmin: converged after 4 iterations. iteration 15: trace = 4.719637476235914 (0.0017247% change) linmin: converged after 5 iterations. iteration 16: trace = 4.719538716015474 (0.00209256% change) linmin: converged after 5 iterations. iteration 17: trace = 4.719446199514693 (0.00196031% change) linmin: converged after 4 iterations. iteration 18: trace = 4.719342067159335 (0.00220648% change) linmin: converged after 4 iterations. iteration 19: trace = 4.719250145659776 (0.00194778% change) linmin: converged after 4 iterations. iteration 20: trace = 4.71920477989633 (0.000961296% change) linmin: converged after 3 iterations. iteration 21: trace = 4.719181996962486 (0.000482772% change) linmin: converged after 3 iterations. iteration 22: trace = 4.719173491794974 (0.000180226% change) linmin: converged after 3 iterations. iteration 23: trace = 4.719169509308279 (8.43895e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 4.719167458935849 (4.34477e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 4.719165917310781 (3.26673e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 4.71916510764357 (1.7157e-05% change) linmin: converged after 4 iterations. iteration 27: trace = 4.719164862213148 (5.20072e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 4.719164785194165 (1.63205e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 4.719164760924246 (5.14284e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 4.719164750430048 (2.22374e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 4.719164743982361 (1.36628e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 4.719164738002021 (1.26725e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 4.719164732534042 (1.15868e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 4.7191647291921 (7.08164e-08% change) linmin: converged after 13 iterations. iteration 35: trace = 4.719164727748502 (3.05901e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 4.719164727250333 (1.05563e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 4.719164726984379 (5.6356e-09% change) linmin: converged after 6 iterations. iteration 38: trace = 4.71916472683646 (3.13443e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 4.719164726707435 (2.73408e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 4.719164726548891 (3.35956e-09% change) linmin: converged after 4 iterations. iteration 41: trace = 4.719164726297077 (5.336e-09% change) linmin: converged after 12 iterations. iteration 42: trace = 4.719164725852186 (9.42731e-09% change) linmin: converged after 8 iterations. iteration 43: trace = 4.719164725066156 (1.66561e-08% change) linmin: converged after 17 iterations. iteration 44: trace = 4.719164723722161 (2.84795e-08% change) linmin: converged after 17 iterations. iteration 45: trace = 4.719164722419718 (2.7599e-08% change) linmin: converged after 5 iterations. iteration 46: trace = 4.719164721562482 (1.8165e-08% change) linmin: converged after 3 iterations. iteration 47: trace = 4.71916472098847 (1.21634e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 4.719164720623196 (7.74023e-09% change) linmin: converged after 15 iterations. iteration 49: trace = 4.719164720382041 (5.11011e-09% change) linmin: converged after 13 iterations. iteration 50: trace = 4.719164720281915 (2.12169e-09% change) linmin: converged after 5 iterations. iteration 51: trace = 4.719164720241515 (8.56077e-10% change) linmin: converged after 6 iterations. iteration 52: trace = 4.719164720225395 (3.41595e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 4.719164720218767 (1.4044e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 4.71916472021603 (5.80053e-11% change) Finished solving for bands 1 to 8 after 54 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.299305, 0.526635, 0.526971, 0.757838, 0.758439, 0.962922, 0.983456, 1.01518 elapsed time for k point: 0.45371079444885254 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692944380183124 (0.970793% change) linmin: converged after 5 iterations. iteration 2: trace = 4.672476472720175 (0.437095% change) linmin: converged after 5 iterations. iteration 3: trace = 4.661345041551024 (0.238518% change) linmin: converged after 5 iterations. iteration 4: trace = 4.656898551874862 (0.0954362% change) linmin: converged after 4 iterations. iteration 5: trace = 4.655008764250308 (0.0405886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.6543993360861 (0.0130927% change) linmin: converged after 4 iterations. iteration 7: trace = 4.6541165907835 (0.00607498% change) linmin: converged after 4 iterations. iteration 8: trace = 4.654018455429293 (0.00210859% change) linmin: converged after 4 iterations. iteration 9: trace = 4.65397971423182 (0.000832428% change) linmin: converged after 4 iterations. iteration 10: trace = 4.6539659141284 (0.000296523% change) linmin: converged after 4 iterations. iteration 11: trace = 4.65396027029335 (0.000121269% change) linmin: converged after 4 iterations. iteration 12: trace = 4.653958279342915 (4.27797e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 4.653957534859808 (1.59968e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.65395721016209 (6.97681e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 4.653957025852121 (3.96029e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.65395692856074 (2.09051e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 4.653956875769945 (1.13432e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.65395684120148 (7.42776e-07% change) linmin: converged after 18 iterations. iteration 19: trace = 4.65395681908548 (4.75209e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.653956809935061 (1.96616e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.653956806517483 (7.34338e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.653956805199019 (2.83299e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.653956804663048 (1.15165e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.653956804367985 (6.34006e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.653956804189203 (3.84149e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.653956804095572 (2.01186e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 4.653956804061926 (7.22954e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 4.65395680405205 (2.12218e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.653956804049414 (5.66424e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.280656, 0.522942, 0.556626, 0.735071, 0.77423, 0.95812, 0.968138, 0.99842 elapsed time for k point: 0.24607157707214355 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.588920978579781 (0.874534% change) linmin: converged after 4 iterations. iteration 2: trace = 4.575249860620794 (0.29836% change) linmin: converged after 4 iterations. iteration 3: trace = 4.569227615780442 (0.131713% change) linmin: converged after 4 iterations. iteration 4: trace = 4.567129923726684 (0.0459197% change) linmin: converged after 4 iterations. iteration 5: trace = 4.566231478753131 (0.0196739% change) linmin: converged after 4 iterations. iteration 6: trace = 4.565933792276802 (0.00651952% change) linmin: converged after 4 iterations. iteration 7: trace = 4.565803133406305 (0.00286164% change) linmin: converged after 4 iterations. iteration 8: trace = 4.565757220078061 (0.0010056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.565743625954822 (0.000297741% change) linmin: converged after 6 iterations. iteration 10: trace = 4.565739612896301 (8.7895e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.565738200055286 (3.09444e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 4.565737746810886 (9.92708e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.565737597483528 (3.27061e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 4.565737552537147 (9.84428e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.565737539290477 (2.90132e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 4.565737535646695 (7.98071e-08% change) linmin: converged after 7 iterations. iteration 17: trace = 4.56573753460347 (2.2849e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 4.565737534315074 (6.31653e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.565737534206805 (2.37134e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 4.565737534143938 (1.37693e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.565737534100033 (9.61626e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 4.56573753407095 (6.36992e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.56573753405284 (3.96649e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.565737534041943 (2.38651e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 4.565737534035817 (1.34188e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 4.565737534032797 (6.61406e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.227959, 0.557659, 0.592002, 0.715363, 0.778635, 0.930406, 0.931674, 1.00032 elapsed time for k point: 0.22114324569702148 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 4.508620212892399 (0.753199% change) linmin: converged after 4 iterations. iteration 2: trace = 4.499716957737195 (0.197667% change) linmin: converged after 3 iterations. iteration 3: trace = 4.496660861798901 (0.0679406% change) linmin: converged after 4 iterations. iteration 4: trace = 4.495746516235481 (0.0203359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.495430397031084 (0.00703176% change) linmin: converged after 4 iterations. iteration 6: trace = 4.495345271640695 (0.00189362% change) linmin: converged after 4 iterations. iteration 7: trace = 4.495315544672334 (0.000661286% change) linmin: converged after 5 iterations. iteration 8: trace = 4.495303649148991 (0.000264621% change) linmin: converged after 5 iterations. iteration 9: trace = 4.49530056416779 (6.86268e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 4.495299803160995 (1.69289e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 4.49529962987156 (3.8549e-06% change) linmin: converged after 7 iterations. iteration 12: trace = 4.495299593694353 (8.04779e-07% change) linmin: converged after 13 iterations. iteration 13: trace = 4.495299585129778 (1.90523e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 4.4952995829639 (4.81809e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 4.495299582144044 (1.82381e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 4.495299581549301 (1.32303e-08% change) linmin: converged after 25 iterations. iteration 17: trace = 4.495299580823786 (1.61394e-08% change) linmin: converged after 28 iterations. iteration 18: trace = 4.495299579921998 (2.00607e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.495299579325443 (1.32706e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.495299579065502 (5.7825e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 4.495299578960952 (2.32577e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 4.495299578913843 (1.04796e-09% change) linmin: converged after 6 iterations. iteration 23: trace = 4.49529957889394 (4.42756e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 4.495299578886664 (1.61857e-10% change) linmin: converged after 12 iterations. iteration 25: trace = 4.49529957888434 (5.17065e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.157628, 0.611565, 0.627491, 0.703542, 0.775273, 0.887377, 0.887503, 1.01567 elapsed time for k point: 0.21401238441467285 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.473866004791009 (0.70844% change) linmin: converged after 4 iterations. iteration 2: trace = 4.466337931880187 (0.168409% change) linmin: converged after 4 iterations. iteration 3: trace = 4.464014970093524 (0.052024% change) linmin: converged after 3 iterations. iteration 4: trace = 4.463224313439747 (0.0177134% change) linmin: converged after 3 iterations. iteration 5: trace = 4.462870601137279 (0.00792535% change) linmin: converged after 3 iterations. iteration 6: trace = 4.462724153332477 (0.00328152% change) linmin: converged after 3 iterations. iteration 7: trace = 4.462635338597416 (0.00199017% change) linmin: converged after 4 iterations. iteration 8: trace = 4.462589776727767 (0.00102097% change) linmin: converged after 4 iterations. iteration 9: trace = 4.462576102002989 (0.000306431% change) linmin: converged after 5 iterations. iteration 10: trace = 4.462571864667412 (9.49527e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.462570546980004 (2.95275e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.462570139814242 (9.12402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.462570010886544 (2.88909e-06% change) linmin: converged after 16 iterations. iteration 14: trace = 4.462569981202184 (6.65185e-07% change) linmin: converged after 17 iterations. iteration 15: trace = 4.462569970590501 (2.37793e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 4.462569966989757 (8.06877e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 4.462569964422032 (5.75391e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.462569961021066 (7.62109e-08% change) large trace change predicted (1.59484e-07%) linmin: converged after 4 iterations. iteration 19: trace = 4.462569953904016 (1.59483e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.462569943683209 (2.29034e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.462569934609556 (2.03328e-07% change) linmin: converged after 13 iterations. iteration 22: trace = 4.462569927927959 (1.49725e-07% change) linmin: converged after 21 iterations. iteration 23: trace = 4.462569924053938 (8.68114e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 4.4625699218635 (4.90847e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 4.462569921105952 (1.69756e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 4.462569920846201 (5.82065e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 4.462569920755992 (2.02147e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 4.462569920708028 (1.07479e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 4.462569920679467 (6.40016e-10% change) linmin: converged after 19 iterations. iteration 30: trace = 4.462569920665277 (3.17988e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 4.462569920661401 (8.6856e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0801245, 0.65125, 0.670687, 0.706804, 0.763085, 0.844811, 0.846761, 1.03423 elapsed time for k point: 0.26331114768981934 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.478658555603904 (0.729587% change) linmin: converged after 5 iterations. iteration 2: trace = 4.469039616061979 (0.215004% change) linmin: converged after 4 iterations. iteration 3: trace = 4.465022814409995 (0.0899211% change) linmin: converged after 4 iterations. iteration 4: trace = 4.462099683146075 (0.0654888% change) linmin: converged after 5 iterations. iteration 5: trace = 4.46004739838548 (0.0460043% change) linmin: converged after 4 iterations. iteration 6: trace = 4.459144908740418 (0.020237% change) linmin: converged after 4 iterations. iteration 7: trace = 4.458741257124823 (0.00905263% change) linmin: converged after 4 iterations. iteration 8: trace = 4.458626601086975 (0.00257152% change) linmin: converged after 4 iterations. iteration 9: trace = 4.458596309903898 (0.000679386% change) linmin: converged after 5 iterations. iteration 10: trace = 4.458587755440083 (0.000191865% change) linmin: converged after 5 iterations. iteration 11: trace = 4.45858520792644 (5.71372e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 4.458584490014958 (1.61018e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.458584277336252 (4.77009e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 4.458584200807498 (1.71644e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 4.458584152121965 (1.09195e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.458584133463843 (4.18476e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 4.458584124790903 (1.94522e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 4.458584118095223 (1.50175e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.458584108090936 (2.24383e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.458584093761966 (3.21379e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.45858407013759 (5.29863e-07% change) large trace change predicted (1.49553e-06%) linmin: converged after 7 iterations. iteration 22: trace = 4.458584003457751 (1.49554e-06% change) large trace change predicted (5.07355e-06%) linmin: converged after 8 iterations. iteration 23: trace = 4.458583777257636 (5.07336e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 24: trace = 4.458459784293772 (0.00278103% change) linmin: converged after 7 iterations. iteration 25: trace = 4.458458119122436 (3.73486e-05% change) linmin: converged after 7 iterations. iteration 26: trace = 4.458456457161484 (3.72766e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.458454802444246 (3.71141e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.458453155252855 (3.69453e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 4.458451513713533 (3.68186e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 4.458449874811254 (3.67595e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 4.458448234994866 (3.678e-05% change) linmin: converged after 4 iterations. iteration 32: trace = 4.458446590523199 (3.68844e-05% change) linmin: converged after 8 iterations. iteration 33: trace = 4.458444937656465 (3.70727e-05% change) linmin: converged after 7 iterations. iteration 34: trace = 4.458443272758864 (3.73426e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 4.458441592352149 (3.76904e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 4.458439893143546 (3.81122e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 4.458438172040379 (3.86033e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 4.458436426167052 (3.91589e-05% change) linmin: converged after 6 iterations. iteration 39: trace = 4.458434652869799 (3.9774e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 4.458432849737257 (4.04432e-05% change) linmin: converged after 5 iterations. iteration 41: trace = 4.458431014617634 (4.11607e-05% change) linmin: converged after 5 iterations. iteration 42: trace = 4.458429145650438 (4.19198e-05% change) linmin: converged after 5 iterations. iteration 43: trace = 4.458427241279685 (4.27139e-05% change) linmin: converged after 7 iterations. iteration 44: trace = 4.458425300304334 (4.3535e-05% change) linmin: converged after 5 iterations. iteration 45: trace = 4.458423321904161 (4.43744e-05% change) linmin: converged after 8 iterations. iteration 46: trace = 4.458421305677994 (4.52229e-05% change) linmin: converged after 6 iterations. iteration 47: trace = 4.458419251678174 (4.60701e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 4.458417160440647 (4.69054e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 4.4584150330075 (4.77172e-05% change) linmin: converged after 18 iterations. iteration 50: trace = 4.458412870938782 (4.84941e-05% change) linmin: converged after 10 iterations. iteration 51: trace = 4.458410676364859 (4.92232e-05% change) linmin: converged after 4 iterations. iteration 52: trace = 4.45840845175823 (4.98969e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 4.458406200194464 (5.05015e-05% change) linmin: converged after 6 iterations. iteration 54: trace = 4.458403925123803 (5.10288e-05% change) linmin: converged after 7 iterations. iteration 55: trace = 4.458401630325326 (5.14713e-05% change) linmin: converged after 7 iterations. iteration 56: trace = 4.458399319828272 (5.18235e-05% change) linmin: converged after 5 iterations. iteration 57: trace = 4.458396997815753 (5.20818e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 4.458394668523269 (5.22451e-05% change) linmin: converged after 8 iterations. iteration 59: trace = 4.458392336137548 (5.23145e-05% change) linmin: converged after 7 iterations. iteration 60: trace = 4.45839000470141 (5.22932e-05% change) linmin: converged after 8 iterations. iteration 61: trace = 4.458387678103033 (5.21847e-05% change) linmin: converged after 5 iterations. iteration 62: trace = 4.458385359712439 (5.20007e-05% change) linmin: converged after 7 iterations. iteration 63: trace = 4.458383052770259 (5.17439e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 4.458380760059336 (5.14247e-05% change) linmin: converged after 7 iterations. iteration 65: trace = 4.458378483961647 (5.10521e-05% change) linmin: converged after 7 iterations. iteration 66: trace = 4.458376226516874 (5.06338e-05% change) linmin: converged after 5 iterations. iteration 67: trace = 4.458373989198368 (5.01824e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 4.458371773292663 (4.97021e-05% change) linmin: converged after 7 iterations. iteration 69: trace = 4.458369579694109 (4.92018e-05% change) resetting CG direction... large trace change predicted (0.0705977%) linmin: converged after 3 iterations. iteration 70: trace = 4.455218403418682 (0.070705% change) linmin: converged after 3 iterations. iteration 71: trace = 4.454076317409219 (0.0256381% change) linmin: converged after 3 iterations. iteration 72: trace = 4.453233381968039 (0.0189268% change) linmin: converged after 3 iterations. iteration 73: trace = 4.452750359185464 (0.0108472% change) linmin: converged after 3 iterations. iteration 74: trace = 4.452486201902826 (0.00593263% change) linmin: converged after 3 iterations. iteration 75: trace = 4.452381335602109 (0.00235526% change) linmin: converged after 3 iterations. iteration 76: trace = 4.452332120174442 (0.00110538% change) linmin: converged after 3 iterations. iteration 77: trace = 4.452312659979376 (0.00043708% change) linmin: converged after 3 iterations. iteration 78: trace = 4.452300688231566 (0.000268889% change) linmin: converged after 4 iterations. iteration 79: trace = 4.4522883725315 (0.000276615% change) linmin: converged after 3 iterations. iteration 80: trace = 4.452272784342062 (0.000350117% change) linmin: converged after 3 iterations. iteration 81: trace = 4.452249214957361 (0.00052938% change) linmin: converged after 3 iterations. iteration 82: trace = 4.452204248282245 (0.00100998% change) linmin: converged after 5 iterations. iteration 83: trace = 4.4521198410159 (0.00189587% change) linmin: converged after 5 iterations. iteration 84: trace = 4.452030542388254 (0.00200578% change) linmin: converged after 4 iterations. iteration 85: trace = 4.451975522784997 (0.00123584% change) linmin: converged after 5 iterations. iteration 86: trace = 4.451956336517752 (0.000430962% change) linmin: converged after 4 iterations. iteration 87: trace = 4.451951182905836 (0.000115761% change) linmin: converged after 3 iterations. iteration 88: trace = 4.451949926945201 (2.82115e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 4.451949633712687 (6.58661e-06% change) linmin: converged after 3 iterations. iteration 90: trace = 4.451949555037809 (1.7672e-06% change) linmin: converged after 2 iterations. iteration 91: trace = 4.451949527224169 (6.24752e-07% change) linmin: converged after 3 iterations. iteration 92: trace = 4.451949519988888 (1.62519e-07% change) linmin: converged after 15 iterations. iteration 93: trace = 4.451949518320763 (3.74695e-08% change) linmin: converged after 3 iterations. iteration 94: trace = 4.451949517530841 (1.77433e-08% change) linmin: converged after 15 iterations. iteration 95: trace = 4.451949517019107 (1.14946e-08% change) linmin: converged after 4 iterations. iteration 96: trace = 4.451949516564609 (1.0209e-08% change) linmin: converged after 2 iterations. iteration 97: trace = 4.451949516310851 (5.69993e-09% change) linmin: converged after 2 iterations. iteration 98: trace = 4.451949516185405 (2.81778e-09% change) linmin: converged after 4 iterations. iteration 99: trace = 4.451949516110982 (1.67168e-09% change) large trace change predicted (3.41964e-09%) linmin: converged after 3 iterations. iteration 100: trace = 4.451949515958742 (3.41963e-09% change) linmin: converged after 15 iterations. iteration 101: trace = 4.451949515672209 (6.43613e-09% change) linmin: converged after 13 iterations. iteration 102: trace = 4.45194951525334 (9.40865e-09% change) linmin: converged after 3 iterations. iteration 103: trace = 4.451949514776244 (1.07166e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 4.451949514168371 (1.36541e-08% change) linmin: converged after 5 iterations. iteration 105: trace = 4.451949513641419 (1.18364e-08% change) linmin: converged after 2 iterations. iteration 106: trace = 4.451949513445266 (4.40601e-09% change) linmin: converged after 5 iterations. iteration 107: trace = 4.451949513374775 (1.58338e-09% change) linmin: converged after 2 iterations. iteration 108: trace = 4.451949513356692 (4.06169e-10% change) linmin: converged after 5 iterations. iteration 109: trace = 4.451949513352741 (8.8759e-11% change) Finished solving for bands 2 to 8 after 109 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 elapsed time for k point: 0.7357573509216309 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.29930494731174784 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.49243428236220593 at Vector3<0.0, 0.5, 0.0> to 0.656836268349937 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5269710506448813 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212507 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6568031427446025 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502099 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.738377430375256 at Vector3<0.0, 0.0, 0.0> to 0.798816879280259 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.8259787164701544 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012375 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.8271634538840891 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529557 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 0.9984200611839872 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.0411551252079037 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.29930494731174784) to band 2 (0.49243428236220593), 48.78609719263012% Gap from band 5 (0.798816879280259) to band 6 (0.8259787164701544), 3.3434159054758736% Gap from band 7 (0.9834563303529557) to band 8 (0.9984200611839872), 1.51005692332075% total elapsed time for run: 5.00715446472168 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.45, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0064296722412109375 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 9.345806662498546 (196.355% change) linmin: converged after 7 iterations. iteration 2: trace = 3.455682105603811 (92.0225% change) linmin: converged after 5 iterations. iteration 3: trace = 2.964925980590619 (15.2869% change) linmin: converged after 6 iterations. iteration 4: trace = 2.881973434637951 (2.83749% change) linmin: converged after 5 iterations. iteration 5: trace = 2.868382752776485 (0.47269% change) linmin: converged after 4 iterations. iteration 6: trace = 2.865183812544305 (0.111586% change) linmin: converged after 5 iterations. iteration 7: trace = 2.863590833741098 (0.0556132% change) linmin: converged after 5 iterations. iteration 8: trace = 2.862863745162171 (0.025394% change) linmin: converged after 4 iterations. iteration 9: trace = 2.862718556173161 (0.00507159% change) linmin: converged after 7 iterations. iteration 10: trace = 2.86268608242282 (0.00113437% change) linmin: converged after 6 iterations. iteration 11: trace = 2.86264603430939 (0.00139898% change) linmin: converged after 4 iterations. iteration 12: trace = 2.862568116844186 (0.00272191% change) linmin: converged after 10 iterations. iteration 13: trace = 2.862522529156148 (0.00159256% change) linmin: converged after 4 iterations. iteration 14: trace = 2.862507023054589 (0.000541695% change) linmin: converged after 5 iterations. iteration 15: trace = 2.862497024431536 (0.000349297% change) linmin: converged after 5 iterations. iteration 16: trace = 2.862491945372897 (0.000177435% change) linmin: converged after 6 iterations. iteration 17: trace = 2.862490865834262 (3.77133e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 2.862490726045404 (4.88347e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 2.862490708249025 (6.2171e-07% change) linmin: converged after 6 iterations. iteration 20: trace = 2.862490703921654 (1.51175e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 2.862490700442761 (1.21534e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 2.862490696942832 (1.22269e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 2.862490694617097 (8.12486e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 2.862490692196373 (8.4567e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 2.862490689635974 (8.94465e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 2.862490688812148 (2.87801e-08% change) linmin: converged after 30 iterations. iteration 27: trace = 2.862490688657747 (5.39391e-09% change) linmin: converged after 18 iterations. iteration 28: trace = 2.862490688633991 (8.29926e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 2.862490688625451 (2.98336e-10% change) linmin: converged after 7 iterations. iteration 30: trace = 2.862490688620295 (1.80119e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 2.862490688618995 (4.54252e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 elapsed time for k point: 0.21381664276123047 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.859266533726319 (1.54925% change) linmin: converged after 5 iterations. iteration 2: trace = 2.842743885377438 (0.579538% change) linmin: converged after 5 iterations. iteration 3: trace = 2.837677720058696 (0.178373% change) linmin: converged after 4 iterations. iteration 4: trace = 2.836732000244519 (0.0333328% change) linmin: converged after 4 iterations. iteration 5: trace = 2.836186496126422 (0.0192319% change) linmin: converged after 5 iterations. iteration 6: trace = 2.835585889966668 (0.0211788% change) linmin: converged after 4 iterations. iteration 7: trace = 2.835329250902228 (0.00905106% change) linmin: converged after 4 iterations. iteration 8: trace = 2.8353075802603 (0.000764311% change) linmin: converged after 5 iterations. iteration 9: trace = 2.835302898412855 (0.000165127% change) linmin: converged after 6 iterations. iteration 10: trace = 2.83530163898006 (4.44197e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 2.83530137235452 (9.40378e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 2.835301336476826 (1.26539e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 2.835301332836303 (1.284e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 2.835301331052824 (6.29026e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 2.83530132963778 (4.99081e-08% change) linmin: converged after 24 iterations. iteration 16: trace = 2.835301328974361 (2.33985e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 2.835301328638411 (1.18488e-08% change) linmin: converged after 7 iterations. iteration 18: trace = 2.835301328502631 (4.78892e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 2.835301328480651 (7.75202e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 2.835301328478704 (6.86816e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0581198, 0.391139, 0.491701, 0.498714, 0.658377, 0.683973, 0.717136, 0.879138 elapsed time for k point: 0.17178988456726074 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.801047583436752 (1.13558% change) linmin: converged after 5 iterations. iteration 2: trace = 2.796644378333821 (0.157322% change) linmin: converged after 4 iterations. iteration 3: trace = 2.795928878200586 (0.0255875% change) linmin: converged after 4 iterations. iteration 4: trace = 2.795770481181678 (0.00566543% change) linmin: converged after 7 iterations. iteration 5: trace = 2.795670517948624 (0.00357558% change) linmin: converged after 5 iterations. iteration 6: trace = 2.795637812105492 (0.00116988% change) linmin: converged after 5 iterations. iteration 7: trace = 2.795631405060606 (0.00022918% change) linmin: converged after 2 iterations. iteration 8: trace = 2.79563092952185 (1.70101e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.795630880408575 (1.75679e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.795630872968434 (2.66135e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.795630871760078 (4.3223e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.795630871631212 (4.60956e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.795630871612964 (6.52719e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 2.795630871602818 (3.62911e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 2.795630871598375 (1.58946e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 2.79563087159767 (2.52097e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.114967, 0.372435, 0.488376, 0.510297, 0.634188, 0.687769, 0.745313, 0.845031 elapsed time for k point: 0.13842225074768066 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.774998560215873 (0.956829% change) linmin: converged after 4 iterations. iteration 2: trace = 2.772244894228549 (0.0992805% change) linmin: converged after 4 iterations. iteration 3: trace = 2.771711795791252 (0.0192317% change) linmin: converged after 4 iterations. iteration 4: trace = 2.771603071908846 (0.0039227% change) linmin: converged after 17 iterations. iteration 5: trace = 2.771573339861102 (0.00107274% change) linmin: converged after 20 iterations. iteration 6: trace = 2.771567875220627 (0.000197168% change) linmin: converged after 3 iterations. iteration 7: trace = 2.771565848864473 (7.31123e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 2.771565436133656 (1.48916e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.771565393911631 (1.5234e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.771565390637116 (1.18147e-07% change) linmin: converged after 12 iterations. iteration 11: trace = 2.771565390406321 (8.32724e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 2.771565390385134 (7.64444e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 2.771565390382113 (1.09005e-10% change) linmin: converged after 8 iterations. iteration 14: trace = 2.771565390381668 (1.60711e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.169005, 0.346637, 0.484408, 0.520098, 0.618254, 0.692346, 0.770438, 0.813964 elapsed time for k point: 0.12224674224853516 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.769862897719126 (0.914068% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766236676441258 (0.131003% change) linmin: converged after 4 iterations. iteration 3: trace = 2.764990799335427 (0.0450488% change) linmin: converged after 4 iterations. iteration 4: trace = 2.764690915212568 (0.0108463% change) linmin: converged after 4 iterations. iteration 5: trace = 2.764623520243688 (0.00243773% change) linmin: converged after 5 iterations. iteration 6: trace = 2.764618233702714 (0.000191221% change) linmin: converged after 4 iterations. iteration 7: trace = 2.764617446459618 (2.84757e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 2.764617148488827 (1.0778e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 2.764617097736612 (1.83578e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.764617094306761 (1.24062e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.764617094122717 (6.6571e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 2.764617094109742 (4.69322e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 2.764617094107777 (7.10641e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.217539, 0.316063, 0.481302, 0.523954, 0.612544, 0.695969, 0.784104, 0.798008 elapsed time for k point: 0.11343169212341309 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.776059205793343 (0.931493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.769429886165037 (0.239089% change) linmin: converged after 5 iterations. iteration 3: trace = 2.766409470118901 (0.109122% change) linmin: converged after 4 iterations. iteration 4: trace = 2.765655309544321 (0.0272651% change) linmin: converged after 4 iterations. iteration 5: trace = 2.765522422981644 (0.004805% change) linmin: converged after 5 iterations. iteration 6: trace = 2.765515118332743 (0.000264133% change) linmin: converged after 12 iterations. iteration 7: trace = 2.765514720941252 (1.43695e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.765514678058559 (1.55062e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.765514659876093 (6.57471e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765514655313922 (1.64966e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765514654640206 (2.43613e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 2.765514654454886 (6.70108e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 2.765514654390357 (2.33335e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.765514654376134 (5.14293e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 2.765514654374653 (5.35698e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.246221, 0.2936, 0.480139, 0.524322, 0.612077, 0.697337, 0.77948, 0.802954 elapsed time for k point: 0.1300492286682129 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.767583432192943 (0.36764% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766063309127009 (0.0549411% change) linmin: converged after 5 iterations. iteration 3: trace = 2.765728992589553 (0.0120871% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76566939483395 (0.00215489% change) linmin: converged after 5 iterations. iteration 5: trace = 2.765658289765335 (0.000401534% change) linmin: converged after 5 iterations. iteration 6: trace = 2.765656674101842 (5.84188e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 2.765656191162028 (1.7462e-05% change) linmin: converged after 11 iterations. iteration 8: trace = 2.765656108679674 (2.98238e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.765656098612788 (3.63996e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765656097543771 (3.86533e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765656097432822 (4.01169e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.765656097370318 (2.25998e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 2.765656097345332 (9.03447e-10% change) linmin: converged after 5 iterations. iteration 14: trace = 2.765656097342627 (9.78049e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.247714, 0.293902, 0.474174, 0.530395, 0.610517, 0.697722, 0.778384, 0.803945 elapsed time for k point: 0.12193870544433594 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.768280024969866 (0.361641% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766861173311209 (0.051267% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76653878249637 (0.0116525% change) linmin: converged after 7 iterations. iteration 4: trace = 2.766463876994802 (0.00270759% change) linmin: converged after 5 iterations. iteration 5: trace = 2.766444675349506 (0.000694089% change) linmin: converged after 5 iterations. iteration 6: trace = 2.76644115588941 (0.00012722% change) linmin: converged after 5 iterations. iteration 7: trace = 2.766440488279493 (2.41324e-05% change) linmin: converged after 14 iterations. iteration 8: trace = 2.766440405119586 (3.00603e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.76644039578598 (3.37387e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 2.76644039433701 (5.23767e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.766440393560163 (2.80811e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.76644039313326 (1.54315e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766440393061449 (2.59581e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.766440393054011 (2.68851e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.766440393053363 (2.34049e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.252117, 0.294341, 0.462144, 0.543033, 0.606057, 0.698701, 0.775411, 0.806864 elapsed time for k point: 0.13016676902770996 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.770564095891852 (0.348247% change) linmin: converged after 5 iterations. iteration 2: trace = 2.769310080422661 (0.0452723% change) linmin: converged after 4 iterations. iteration 3: trace = 2.769019050828958 (0.0105097% change) linmin: converged after 13 iterations. iteration 4: trace = 2.76893464875329 (0.00304813% change) linmin: converged after 5 iterations. iteration 5: trace = 2.768909972394446 (0.00089119% change) linmin: converged after 6 iterations. iteration 6: trace = 2.768906563092358 (0.000123128% change) linmin: converged after 5 iterations. iteration 7: trace = 2.768906106159752 (1.65023e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.768906042893643 (2.28488e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.768906024550867 (6.62456e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.768906007868234 (6.02499e-07% change) linmin: converged after 35 iterations. iteration 11: trace = 2.768905997652201 (3.68956e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 2.768905996400178 (4.52172e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.768905996267475 (4.79261e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.768905996251334 (5.82949e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 2.768905996249786 (5.5926e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.259212, 0.293544, 0.450321, 0.556823, 0.599242, 0.699858, 0.771489, 0.811554 elapsed time for k point: 0.1304616928100586 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.775951451394633 (0.330999% change) linmin: converged after 4 iterations. iteration 2: trace = 2.774883098720054 (0.0384934% change) linmin: converged after 4 iterations. iteration 3: trace = 2.774640612554557 (0.00873899% change) linmin: converged after 7 iterations. iteration 4: trace = 2.774560995071423 (0.00286951% change) linmin: converged after 6 iterations. iteration 5: trace = 2.774534593258357 (0.000951572% change) linmin: converged after 5 iterations. iteration 6: trace = 2.774531225311592 (0.000121388% change) linmin: converged after 26 iterations. iteration 7: trace = 2.774530700767953 (1.89057e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.774530359498073 (1.23001e-05% change) linmin: converged after 18 iterations. iteration 9: trace = 2.774529863122824 (1.78904e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 2.774529580681397 (1.01798e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 2.774529533963514 (1.68381e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 2.774529531015566 (1.0625e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 2.774529530846427 (6.09615e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 2.77452953082986 (5.97101e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 2.774529530826871 (1.07736e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 2.774529530826195 (2.4361e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.268674, 0.289451, 0.441996, 0.569747, 0.590701, 0.700763, 0.768006, 0.817777 elapsed time for k point: 0.13893532752990723 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.786010010491569 (0.314216% change) linmin: converged after 4 iterations. iteration 2: trace = 2.785094864021874 (0.0328533% change) linmin: converged after 11 iterations. iteration 3: trace = 2.78489062288289 (0.00733363% change) linmin: converged after 8 iterations. iteration 4: trace = 2.784815529207029 (0.0026965% change) linmin: converged after 5 iterations. iteration 5: trace = 2.784783018896367 (0.00116742% change) linmin: converged after 5 iterations. iteration 6: trace = 2.784775033068279 (0.000286767% change) linmin: converged after 6 iterations. iteration 7: trace = 2.784767386978048 (0.000274568% change) large trace change predicted (0.00145949%) linmin: converged after 4 iterations. iteration 8: trace = 2.784726863653828 (0.00145519% change) large trace change predicted (0.00560838%) linmin: converged after 6 iterations. iteration 9: trace = 2.784576806690431 (0.00538872% change) linmin: converged after 5 iterations. iteration 10: trace = 2.784434566582515 (0.00510827% change) linmin: converged after 3 iterations. iteration 11: trace = 2.784406387945413 (0.00101201% change) linmin: converged after 3 iterations. iteration 12: trace = 2.784404398152224 (7.14621e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 2.784404189729929 (7.48535e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 2.784404151061386 (1.38875e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 2.784404143391645 (2.75454e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 2.784404142114125 (4.58813e-08% change) linmin: converged after 15 iterations. iteration 17: trace = 2.784404141807721 (1.10043e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 2.784404141512653 (1.05971e-08% change) large trace change predicted (3.91102e-08%) linmin: converged after 4 iterations. iteration 19: trace = 2.784404140423669 (3.91101e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 2.784404138302882 (7.61666e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 2.784404135672377 (9.44728e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 2.784404132526618 (1.12978e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 2.784404131138632 (4.98486e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 2.784404130765974 (1.33837e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 2.784404130704079 (2.22293e-09% change) linmin: converged after 8 iterations. iteration 26: trace = 2.784404130699128 (1.77801e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 2.784404130698568 (2.01278e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.280092, 0.280155, 0.439082, 0.58087, 0.581035, 0.701106, 0.766461, 0.825015 elapsed time for k point: 0.22958135604858398 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.772753997213626 (1.31493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.767398262731099 (0.193343% change) linmin: converged after 4 iterations. iteration 3: trace = 2.766394048710945 (0.0362939% change) linmin: converged after 4 iterations. iteration 4: trace = 2.766294359316734 (0.00360365% change) linmin: converged after 5 iterations. iteration 5: trace = 2.766278312431665 (0.000580088% change) linmin: converged after 6 iterations. iteration 6: trace = 2.766276055716638 (8.15795e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 2.766275726375516 (1.19056e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.766275697025939 (1.06098e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.766275694526919 (9.03388e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 2.766275694283738 (8.79093e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 2.766275694243462 (1.45596e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 2.766275694206309 (1.34308e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 2.766275694188479 (6.44523e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 2.766275694185663 (1.01829e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 2.766275694185344 (1.15105e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.244445, 0.307226, 0.448708, 0.559739, 0.597235, 0.699583, 0.773933, 0.80772 elapsed time for k point: 0.13016247749328613 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.771492865813059 (1.30013% change) linmin: converged after 5 iterations. iteration 2: trace = 2.766681096222227 (0.173767% change) linmin: converged after 4 iterations. iteration 3: trace = 2.765870731016941 (0.0292944% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76578435790659 (0.00312287% change) linmin: converged after 8 iterations. iteration 5: trace = 2.765768964129089 (0.000556581% change) linmin: converged after 6 iterations. iteration 6: trace = 2.765766913567458 (7.41408e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 2.765766616476073 (1.07417e-05% change) linmin: converged after 7 iterations. iteration 8: trace = 2.765766581509602 (1.26426e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 2.765766575906306 (2.02595e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765766575033984 (3.154e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765766574972649 (2.21765e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 2.765766574968934 (1.34314e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 2.765766574968628 (1.1063e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.192601, 0.336978, 0.467722, 0.538055, 0.609757, 0.695231, 0.77985, 0.802206 elapsed time for k point: 0.11377406120300293 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 2.791470836863853 (1.28311% change) linmin: converged after 5 iterations. iteration 2: trace = 2.787458714100256 (0.143831% change) linmin: converged after 4 iterations. iteration 3: trace = 2.786926033090122 (0.0191117% change) linmin: converged after 4 iterations. iteration 4: trace = 2.786856117715465 (0.00250872% change) linmin: converged after 4 iterations. iteration 5: trace = 2.786833391429717 (0.000815484% change) linmin: converged after 5 iterations. iteration 6: trace = 2.786827001476856 (0.000229291% change) linmin: converged after 5 iterations. iteration 7: trace = 2.786825618414129 (4.96286e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.786825460368141 (5.67118e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.786825447118285 (4.75446e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.786825446092695 (3.68014e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.786825446011258 (2.92218e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 2.786825446005847 (1.94188e-10% change) linmin: converged after 10 iterations. iteration 13: trace = 2.786825446005421 (1.5282e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.132075, 0.365778, 0.483253, 0.517524, 0.627555, 0.689432, 0.753492, 0.835064 elapsed time for k point: 0.1136159896850586 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 2.834933245505366 (1.30701% change) linmin: converged after 3 iterations. iteration 2: trace = 2.830403965065331 (0.159894% change) linmin: converged after 4 iterations. iteration 3: trace = 2.829621813628175 (0.0276377% change) linmin: converged after 4 iterations. iteration 4: trace = 2.829419384307018 (0.00715419% change) linmin: converged after 4 iterations. iteration 5: trace = 2.829342538493452 (0.00271599% change) linmin: converged after 5 iterations. iteration 6: trace = 2.829305726218511 (0.0013011% change) linmin: converged after 7 iterations. iteration 7: trace = 2.829276325559084 (0.00103915% change) linmin: converged after 4 iterations. iteration 8: trace = 2.82927095634249 (0.000189774% change) linmin: converged after 4 iterations. iteration 9: trace = 2.82927033581316 (2.19325e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 2.829270284334414 (1.81951e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 2.829270280435292 (1.37814e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 2.829270280036015 (1.41124e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 2.82927027994755 (3.12677e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.829270279913448 (1.20531e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 2.829270279899186 (5.04101e-10% change) linmin: converged after 5 iterations. iteration 16: trace = 2.829270279889817 (3.31128e-10% change) linmin: converged after 5 iterations. iteration 17: trace = 2.829270279885793 (1.42239e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 2.829270279885344 (1.58532e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0670312, 0.388874, 0.490908, 0.500671, 0.654295, 0.684452, 0.721561, 0.874451 elapsed time for k point: 0.15483403205871582 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 9 iterations. iteration 1: trace = 2.886141685835986 (1.47203% change) linmin: converged after 5 iterations. iteration 2: trace = 2.874303792321683 (0.411006% change) linmin: converged after 5 iterations. iteration 3: trace = 2.867461048283302 (0.23835% change) linmin: converged after 4 iterations. iteration 4: trace = 2.863972339324502 (0.121739% change) linmin: converged after 4 iterations. iteration 5: trace = 2.863259526574189 (0.0248921% change) linmin: converged after 3 iterations. iteration 6: trace = 2.863087260460389 (0.00601661% change) linmin: converged after 4 iterations. iteration 7: trace = 2.862987569163309 (0.00348201% change) large trace change predicted (0.0075076%) linmin: converged after 5 iterations. iteration 8: trace = 2.862770998308227 (0.00756479% change) linmin: converged after 4 iterations. iteration 9: trace = 2.862591893255241 (0.00625655% change) linmin: converged after 4 iterations. iteration 10: trace = 2.862540772320617 (0.00178584% change) linmin: converged after 4 iterations. iteration 11: trace = 2.862503519860575 (0.00130139% change) linmin: converged after 5 iterations. iteration 12: trace = 2.862492614383933 (0.000380978% change) linmin: converged after 4 iterations. iteration 13: trace = 2.862491127238271 (5.19528e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 2.862490902676291 (7.84498e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 2.862490848354823 (1.8977e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 2.862490815153655 (1.15987e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 2.86249077413476 (1.43298e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 2.862490747516456 (9.299e-07% change) linmin: converged after 23 iterations. iteration 19: trace = 2.862490726725267 (7.26332e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 2.862490701040953 (8.97272e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 2.862490690405895 (3.71532e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 2.862490688920489 (5.18921e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 2.862490688724728 (6.83884e-09% change) linmin: converged after 18 iterations. iteration 24: trace = 2.862490688677543 (1.64839e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 2.862490688650893 (9.31e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 2.862490688640412 (3.66148e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 2.862490688636775 (1.2706e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 2.862490688630902 (2.05174e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 2.862490688622827 (2.82093e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 2.862490688619479 (1.16961e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 2.862490688618611 (3.033e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 .elapsed time for k point: 0.21261167526245117 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28009156817399933 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.2801552391378446 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.39851260810466843 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.43908172284486036 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.4928881018998065 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.4933684778826872 at Vector3<0.0, 0.0, 0.0> to 0.5808701365268192 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.581035246804371 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.6824860801372995 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.6825317446715006 at Vector3<0.0, 0.0, 0.0> to 0.7011061593213777 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.6920145742134777 at Vector3<0.0, 0.0, 0.0> to 0.784104262239307 at Vector3<0.0, 0.4, 0.0> Band 8 range: 0.798007787259409 at Vector3<0.0, 0.4, 0.0> to 0.8982239424823436 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28009156817399933) to band 2 (0.2801552391378446), 0.0227296123830855% Gap from band 2 (0.39851260810466843) to band 3 (0.43908172284486036), 9.687055712089462% Gap from band 3 (0.4928881018998065) to band 4 (0.4933684778826872), 0.09741399808691557% Gap from band 4 (0.5808701365268192) to band 5 (0.581035246804371), 0.028420606345495442% Gap from band 5 (0.6824860801372995) to band 6 (0.6825317446715006), 0.006690686871795154% Gap from band 7 (0.784104262239307) to band 8 (0.798007787259409), 1.7575904341929913% total elapsed time for run: 2.3736095428466797 done /tmp/meepW1wGQn/test_tri_holes-0: 7.38s /tmp/meepW1wGQn/test_tri_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.005070209503173828 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403983 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549292 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.84352701122289 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441988 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792534 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692739 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908757 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295163921 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448073 (0.0145112% change) linmin: converged after 5 iterations. iteration 10: trace = 4.578003942463019 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765468 (0.00162274% change) linmin: converged after 8 iterations. iteration 12: trace = 4.577907037545199 (0.000494028% change) linmin: converged after 5 iterations. iteration 13: trace = 4.577897255801745 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.57789508633627 (4.739e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.57789469636567 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894636935355 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221464 (1.68503e-07% change) linmin: converged after 8 iterations. iteration 18: trace = 4.577894627568691 (3.61033e-08% change) linmin: converged after 6 iterations. iteration 19: trace = 4.577894626939197 (1.37507e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.577894626693595 (5.36495e-09% change) linmin: converged after 12 iterations. iteration 21: trace = 4.577894626612556 (1.77023e-09% change) linmin: converged after 13 iterations. iteration 22: trace = 4.577894626584484 (6.13222e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.577894626574819 (2.11107e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572808 (4.39443e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.1621994972229004 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720173 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.553362423580495 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778888997 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.54723569125933 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078174 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887486 (0.000982783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.546668812199721 (0.0001536% change) linmin: converged after 5 iterations. iteration 8: trace = 4.546667474444718 (2.94228e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 4.546667093982198 (8.36794e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.546667026314634 (1.48829e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.546667010167313 (3.55146e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.546667005947761 (9.28054e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.546667004173655 (3.90199e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.546667003528526 (1.41891e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.546667003425869 (2.25786e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.546667003411077 (3.25331e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 4.546667003406391 (1.03065e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404457 (4.25466e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.15534353256225586 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501469826 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577211217 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622181 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.45699807393535 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102497 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934249 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362191 (9.95243e-05% change) linmin: converged after 18 iterations. iteration 8: trace = 4.456771848143077 (9.67559e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.456771805503835 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201267 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345359 (4.16424e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.45677179666402 (1.52877e-08% change) linmin: converged after 12 iterations. iteration 13: trace = 4.456771796571513 (2.07566e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.456771796564526 (1.56759e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 4.456771796562705 (4.08539e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.13074231147766113 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410844 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668878 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944972 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463695 (0.00735182% change) linmin: converged after 5 iterations. iteration 5: trace = 4.364572744594431 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346524 (0.000152071% change) linmin: converged after 3 iterations. iteration 7: trace = 4.364565316740358 (1.81142e-05% change) linmin: converged after 13 iterations. iteration 8: trace = 4.36456523912619 (1.77828e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.364565234500084 (1.05992e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.364565233724117 (1.77788e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.364565233381506 (7.84984e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.36456523330673 (1.71325e-09% change) linmin: converged after 8 iterations. iteration 13: trace = 4.364565233299625 (1.62798e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.364565233298254 (3.13997e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.1223914623260498 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604866 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984186 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865018 (0.0151441% change) linmin: converged after 4 iterations. iteration 4: trace = 4.304101774804951 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722034 (0.000679937% change) linmin: converged after 4 iterations. iteration 6: trace = 4.304070117659416 (5.55767e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.304069984297114 (3.09852e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945504 (6.90153e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.304069964779023 (2.71018e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.304069964479552 (6.95785e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.304069964440697 (9.02753e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.304069964437603 (7.18951e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.11389422416687012 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238561 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.284124961328375 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492502 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.2835023031187 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024279 (0.000553453% change) linmin: converged after 7 iterations. iteration 6: trace = 4.283477154458746 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.283477077810688 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330033 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817823 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.28347706577044 (2.44517e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633828 (3.18929e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283477065618211 (3.64583e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.283477065616433 (4.15114e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.11377811431884766 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825463 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831363 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994831 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692772 (0.00782874% change) linmin: converged after 4 iterations. iteration 5: trace = 4.264488730548918 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097835 (0.000287994% change) linmin: converged after 4 iterations. iteration 7: trace = 4.264474782181725 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738403 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967127 (2.52582e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.264474631257336 (1.66443e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.264474631203496 (1.26251e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.264474631199771 (8.735e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.10557889938354492 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565429 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374738 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204027 (0.01063% change) linmin: converged after 5 iterations. iteration 4: trace = 4.228604967100097 (0.00120406% change) linmin: converged after 6 iterations. iteration 5: trace = 4.228597156343837 (0.000184713% change) linmin: converged after 14 iterations. iteration 6: trace = 4.228595847507815 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484543 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.228595653669718 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361875 (3.09285e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.228595652271401 (2.13958e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.228595652264811 (1.55829e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.228595652264469 (8.08658e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.10564517974853516 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849722 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159246 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731935 (0.00284883% change) linmin: converged after 4 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 2 iterations. iteration 5: trace = 4.196577861660908 (1.0875e-05% change) linmin: converged after 6 iterations. iteration 6: trace = 4.196577824465238 (8.86333e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 4.196577821831923 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279778 (1.3157e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.19657782123355 (1.10156e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 4.196577821229711 (9.14723e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.0889127254486084 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862474 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735219 (0.0198514% change) linmin: converged after 6 iterations. iteration 3: trace = 4.175658188677829 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 4 iterations. iteration 5: trace = 4.175651823639797 (1.24495e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.175651765087073 (1.40224e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.175651761832765 (7.79353e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361386 (1.12888e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.175651761335721 (6.1463e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 4.175651761333512 (5.28995e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.08893704414367676 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974825 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847979 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223788 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634319 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651687 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612855 (9.31579e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 4.168411689609142 (8.90648e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.08062934875488281 Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911 Outputting fields to /tmp/meepW1wGQn/test_tri_rods-0-e.k11.b01.z.tm.h5... Fixing e-field (band 2) phase by -4.11947e-08 + -1i; max ampl. = 1.08316 Outputting fields to /tmp/meepW1wGQn/test_tri_rods-0-e.k11.b02.z.tm.h5... Fixing e-field (band 3) phase by 1 + -4.11948e-08i; max ampl. = 0.877953 Outputting fields to /tmp/meepW1wGQn/test_tri_rods-0-e.k11.b03.z.tm.h5... Fixing e-field (band 4) phase by 1 + -4.11947e-08i; max ampl. = 1.24657 Outputting fields to /tmp/meepW1wGQn/test_tri_rods-0-e.k11.b04.z.tm.h5... Fixing e-field (band 5) phase by 4.11947e-08 + 1i; max ampl. = 1.10168 Outputting fields to /tmp/meepW1wGQn/test_tri_rods-0-e.k11.b05.z.tm.h5... Fixing e-field (band 6) phase by -1 + 4.11947e-08i; max ampl. = 1.76186 Outputting fields to /tmp/meepW1wGQn/test_tri_rods-0-e.k11.b06.z.tm.h5... Fixing e-field (band 7) phase by -1 + 4.11947e-08i; max ampl. = 1.0881 Outputting fields to /tmp/meepW1wGQn/test_tri_rods-0-e.k11.b07.z.tm.h5... Fixing e-field (band 8) phase by -1 + 4.11948e-08i; max ampl. = 1.08096 Outputting fields to /tmp/meepW1wGQn/test_tri_rods-0-e.k11.b08.z.tm.h5... solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861229 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957315 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510748 (0.000784095% change) linmin: converged after 4 iterations. iteration 5: trace = 4.19785442937801 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525579 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380286 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.197854050415343 (4.68083e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.197854050317019 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309861 (1.70512e-10% change) linmin: converged after 7 iterations. iteration 11: trace = 4.197854050309302 (1.33083e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.09754776954650879 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338976 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011072 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299237 (0.013699% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283281438838009 (0.00210466% change) linmin: converged after 4 iterations. iteration 5: trace = 4.283267824693608 (0.000317844% change) linmin: converged after 11 iterations. iteration 6: trace = 4.283266579370459 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834246 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102649 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.28326648909319 (2.35675e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.283266489000649 (2.16053e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.283266488991161 (2.21523e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283266488990681 (1.11974e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.10564398765563965 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679059329 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164542 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426009 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814327 (0.00987906% change) linmin: converged after 4 iterations. iteration 5: trace = 4.410114427040233 (0.00189335% change) linmin: converged after 6 iterations. iteration 6: trace = 4.410103889016638 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711945 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698955 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309541 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815384 (5.65555e-08% change) linmin: converged after 18 iterations. iteration 11: trace = 4.410102274561978 (5.74604e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.410102274546347 (3.54437e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.410102274545233 (2.52551e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.11400151252746582 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101224 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258207 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323309 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319918 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.53459599155331 (0.0146622% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534531477384967 (0.00142272% change) linmin: converged after 5 iterations. iteration 7: trace = 4.534520999244496 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738526 (5.16374e-05% change) linmin: converged after 6 iterations. iteration 9: trace = 4.534517831347476 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.534517685393303 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423108 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208907 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618736 (7.91743e-08% change) linmin: converged after 20 iterations. iteration 14: trace = 4.534517622906266 (1.57121e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.534517622781562 (2.7501e-09% change) linmin: converged after 11 iterations. iteration 16: trace = 4.534517622760762 (4.58709e-10% change) linmin: converged after 5 iterations. iteration 17: trace = 4.534517622757205 (7.84462e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.1472949981689453 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082273779 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330492 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234657 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379688 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189917 (0.00557828% change) linmin: converged after 6 iterations. iteration 6: trace = 4.57791517310207 (0.000900408% change) linmin: converged after 4 iterations. iteration 7: trace = 4.577900193794607 (0.000327209% change) linmin: converged after 3 iterations. iteration 8: trace = 4.57789572495598 (9.76177e-05% change) linmin: converged after 6 iterations. iteration 9: trace = 4.577894738564552 (2.15468e-05% change) linmin: converged after 8 iterations. iteration 10: trace = 4.577894647524371 (1.98869e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577894631981889 (3.39512e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.577894627560068 (9.65907e-08% change) linmin: converged after 18 iterations. iteration 13: trace = 4.57789462668443 (1.91275e-08% change) linmin: converged after 11 iterations. iteration 14: trace = 4.577894626586346 (2.14256e-09% change) linmin: converged after 2 iterations. iteration 15: trace = 4.577894626573653 (2.77266e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 4.577894626572483 (2.55517e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.10912728309631348 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471573 at Vector3<0.0, 0.5, 0.0> to 0.560518142316283 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027671 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797747 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585146 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443699 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327573 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537568 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443264 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903452 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739193 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664871 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8992499095547029 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156901 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623627) to band 2 (0.4453310808471573), 47.39883483854642% Gap from band 3 (0.5605607947797747) to band 4 (0.5932960873585146), 5.674064623695081% Gap from band 4 (0.7907195974443699) to band 5 (0.7908320763327573), 0.01422386511327371% Gap from band 5 (0.8374511167537568) to band 6 (0.8375948528443264), 0.017162047272541583% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739193), 0.22277591092796523% total elapsed time for run: 1.911630630493164 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004804849624633789 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 17.36160904168521 (195.027% change) linmin: converged after 7 iterations. iteration 2: trace = 7.562476866233153 (78.6318% change) linmin: converged after 13 iterations. iteration 3: trace = 6.689988797283966 (12.2433% change) linmin: converged after 4 iterations. iteration 4: trace = 6.443872872870137 (3.74781% change) linmin: converged after 7 iterations. iteration 5: trace = 6.353949184522612 (1.4053% change) linmin: converged after 4 iterations. iteration 6: trace = 6.30892400456691 (0.711137% change) linmin: converged after 6 iterations. iteration 7: trace = 6.270403953221672 (0.612434% change) linmin: converged after 4 iterations. iteration 8: trace = 6.245962911374157 (0.390545% change) linmin: converged after 4 iterations. iteration 9: trace = 6.231123952692151 (0.237859% change) linmin: converged after 4 iterations. iteration 10: trace = 6.222648387593614 (0.136112% change) linmin: converged after 4 iterations. iteration 11: trace = 6.218459085005686 (0.0673461% change) linmin: converged after 4 iterations. iteration 12: trace = 6.215474845143158 (0.0480015% change) linmin: converged after 4 iterations. iteration 13: trace = 6.213476033900998 (0.0321638% change) linmin: converged after 4 iterations. iteration 14: trace = 6.21179973384629 (0.0269821% change) linmin: converged after 4 iterations. iteration 15: trace = 6.21016632266533 (0.0262988% change) linmin: converged after 4 iterations. iteration 16: trace = 6.208765013191384 (0.0225673% change) linmin: converged after 3 iterations. iteration 17: trace = 6.207458642132702 (0.021043% change) linmin: converged after 3 iterations. iteration 18: trace = 6.20649696590047 (0.0154935% change) linmin: converged after 4 iterations. iteration 19: trace = 6.205910205795292 (0.00945441% change) linmin: converged after 4 iterations. iteration 20: trace = 6.205612235735892 (0.00480151% change) linmin: converged after 4 iterations. iteration 21: trace = 6.205499078041607 (0.00182349% change) linmin: converged after 4 iterations. iteration 22: trace = 6.205434445474387 (0.00104154% change) linmin: converged after 4 iterations. iteration 23: trace = 6.205390974318264 (0.000700536% change) linmin: converged after 4 iterations. iteration 24: trace = 6.205367423163333 (0.000379528% change) linmin: converged after 4 iterations. iteration 25: trace = 6.20535689994554 (0.000169583% change) linmin: converged after 4 iterations. iteration 26: trace = 6.205352210725851 (7.55673e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.205348781520932 (5.52621e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 6.205345652519197 (5.04243e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.205343137714821 (4.05264e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 6.205341359594282 (2.86547e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 6.205340285757583 (1.7305e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 6.205339401862767 (1.42441e-05% change) linmin: converged after 6 iterations. iteration 33: trace = 6.20533853878222 (1.39087e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 6.205338005697938 (8.59074e-06% change) linmin: converged after 2 iterations. iteration 35: trace = 6.205337792812221 (3.43069e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 6.205337727927399 (1.04563e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 6.205337700664469 (4.39346e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 6.205337682076672 (2.99545e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 6.205337670235608 (1.90821e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 6.205337663603777 (1.06873e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 6.205337659445282 (6.70148e-08% change) linmin: converged after 2 iterations. iteration 42: trace = 6.205337656270995 (5.11541e-08% change) linmin: converged after 2 iterations. iteration 43: trace = 6.205337653590663 (4.3194e-08% change) linmin: converged after 3 iterations. iteration 44: trace = 6.205337651674713 (3.08758e-08% change) linmin: converged after 2 iterations. iteration 45: trace = 6.205337650112266 (2.51791e-08% change) linmin: converged after 4 iterations. iteration 46: trace = 6.205337648922302 (1.91765e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 6.205337648157412 (1.23263e-08% change) linmin: converged after 15 iterations. iteration 48: trace = 6.205337647646617 (8.23154e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 6.205337647357126 (4.66519e-09% change) linmin: converged after 6 iterations. iteration 50: trace = 6.205337647220214 (2.20636e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 6.205337647170957 (7.93792e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 6.205337647152464 (2.98014e-10% change) linmin: converged after 5 iterations. iteration 53: trace = 6.205337647143448 (1.45293e-10% change) linmin: converged after 4 iterations. iteration 54: trace = 6.2053376471365 (1.11972e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 6.205337647130191 (1.01666e-10% change) linmin: converged after 16 iterations. iteration 56: trace = 6.205337647125869 (6.9662e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 elapsed time for k point: 0.3694143295288086 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.1585390244156 (1.66275% change) linmin: converged after 4 iterations. iteration 2: trace = 6.0980326598054 (0.987329% change) linmin: converged after 4 iterations. iteration 3: trace = 6.081903131798116 (0.264854% change) linmin: converged after 4 iterations. iteration 4: trace = 6.074376705631255 (0.123828% change) linmin: converged after 4 iterations. iteration 5: trace = 6.072216470542518 (0.0355694% change) linmin: converged after 3 iterations. iteration 6: trace = 6.07122493087419 (0.0163305% change) linmin: converged after 4 iterations. iteration 7: trace = 6.070791668858618 (0.00713657% change) linmin: converged after 5 iterations. iteration 8: trace = 6.070592820913723 (0.00327554% change) linmin: converged after 3 iterations. iteration 9: trace = 6.070504835682348 (0.00144938% change) linmin: converged after 3 iterations. iteration 10: trace = 6.070476174703726 (0.000472136% change) linmin: converged after 3 iterations. iteration 11: trace = 6.07046677695132 (0.000154811% change) linmin: converged after 4 iterations. iteration 12: trace = 6.070462362656825 (7.27176e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.070460758493462 (2.64257e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 6.070460318551032 (7.24727e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 6.070460193420171 (2.06131e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 6.07046013771507 (9.17642e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 6.070460108900749 (4.74665e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.070460095276809 (2.2443e-07% change) linmin: converged after 19 iterations. iteration 19: trace = 6.070460086895658 (1.38065e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 6.070460079863555 (1.15841e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.070460075402003 (7.34961e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 6.07046007280924 (4.27112e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 6.070460071630646 (1.94152e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 6.070460071141089 (8.06458e-09% change) linmin: converged after 5 iterations. iteration 25: trace = 6.070460070886774 (4.18938e-09% change) linmin: converged after 19 iterations. iteration 26: trace = 6.070460070770771 (1.91095e-09% change) linmin: converged after 27 iterations. iteration 27: trace = 6.070460070719216 (8.4928e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 6.07046007069846 (3.41915e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 6.070460070686257 (2.01032e-10% change) linmin: converged after 9 iterations. iteration 30: trace = 6.070460070677968 (1.36538e-10% change) linmin: converged after 7 iterations. iteration 31: trace = 6.070460070673307 (7.67843e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.101865, 0.559805, 0.79146, 0.793258, 0.992126, 1.02845, 1.09799, 1.1151 elapsed time for k point: 0.2638885974884033 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.879585450098076 (0.610248% change) linmin: converged after 4 iterations. iteration 2: trace = 5.864179164992434 (0.262374% change) linmin: converged after 4 iterations. iteration 3: trace = 5.859434248091549 (0.0809463% change) linmin: converged after 4 iterations. iteration 4: trace = 5.857343394586366 (0.0356899% change) linmin: converged after 3 iterations. iteration 5: trace = 5.856604562108641 (0.0126146% change) linmin: converged after 3 iterations. iteration 6: trace = 5.856366774448492 (0.00406024% change) linmin: converged after 4 iterations. iteration 7: trace = 5.856287811143217 (0.00134834% change) linmin: converged after 4 iterations. iteration 8: trace = 5.856258046979811 (0.000508244% change) linmin: converged after 3 iterations. iteration 9: trace = 5.856247804313906 (0.000174901% change) linmin: converged after 5 iterations. iteration 10: trace = 5.85624293285561 (8.3184e-05% change) linmin: converged after 7 iterations. iteration 11: trace = 5.856240727525892 (3.76578e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.856239109988385 (2.76208e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.856238145767136 (1.64649e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 5.856237866910506 (4.7617e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 5.856237777124205 (1.53317e-06% change) linmin: converged after 20 iterations. iteration 16: trace = 5.856237751868007 (4.3127e-07% change) linmin: converged after 46 iterations. iteration 17: trace = 5.856237743987795 (1.34561e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.856237740787495 (5.46477e-08% change) linmin: converged after 14 iterations. iteration 19: trace = 5.856237739089928 (2.89873e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.856237737682886 (2.40264e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 5.856237736546374 (1.94069e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.856237735790087 (1.29142e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.856237735217744 (9.77322e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.856237734948409 (4.59911e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.856237734795142 (2.61715e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 5.856237734734325 (1.0385e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.856237734714298 (3.41971e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.856237734707856 (1.10017e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.856237734706174 (2.87099e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.202662, 0.555133, 0.784265, 0.784932, 0.925328, 1.01804, 1.06979, 1.11298 elapsed time for k point: 0.24772930145263672 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.688335296913033 (0.327793% change) linmin: converged after 4 iterations. iteration 2: trace = 5.682021917679505 (0.11105% change) linmin: converged after 4 iterations. iteration 3: trace = 5.680153605103732 (0.0328865% change) linmin: converged after 4 iterations. iteration 4: trace = 5.679577245560058 (0.0101474% change) linmin: converged after 4 iterations. iteration 5: trace = 5.67938121003121 (0.00345165% change) linmin: converged after 3 iterations. iteration 6: trace = 5.679338397147005 (0.000753833% change) linmin: converged after 4 iterations. iteration 7: trace = 5.679327009082199 (0.000200518% change) linmin: converged after 5 iterations. iteration 8: trace = 5.679321501429043 (9.69773e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.679318695796018 (4.94009e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.6793170688727 (2.86465e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.679316526996143 (9.54123e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.679316324977451 (3.5571e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.679316252366133 (1.27852e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.67931623609782 (2.86448e-07% change) linmin: converged after 10 iterations. iteration 15: trace = 5.679316231672829 (7.79142e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.679316229977102 (2.98579e-08% change) linmin: converged after 8 iterations. iteration 17: trace = 5.679316229108178 (1.52998e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 5.679316228341659 (1.34967e-08% change) linmin: converged after 19 iterations. iteration 19: trace = 5.67931622758592 (1.33069e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 5.679316226988054 (1.05271e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.679316226705495 (4.97523e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.679316226637823 (1.19155e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.679316226609477 (4.99113e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.679316226600841 (1.52056e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.679316226598069 (4.88088e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.300756, 0.545003, 0.752836, 0.776604, 0.881527, 1.00851, 1.04494, 1.1117 elapsed time for k point: 0.21343564987182617 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.572181213526918 (0.241977% change) linmin: converged after 3 iterations. iteration 2: trace = 5.568600925709676 (0.0642735% change) linmin: converged after 4 iterations. iteration 3: trace = 5.5676577368561 (0.0169391% change) linmin: converged after 4 iterations. iteration 4: trace = 5.567444170136787 (0.00383592% change) linmin: converged after 5 iterations. iteration 5: trace = 5.567377620491227 (0.00119534% change) linmin: converged after 5 iterations. iteration 6: trace = 5.567363512847735 (0.000253399% change) linmin: converged after 5 iterations. iteration 7: trace = 5.567360010913529 (6.29011e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.567358378549631 (2.93203e-05% change) linmin: converged after 12 iterations. iteration 9: trace = 5.567357563479917 (1.46402e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.567357125846392 (7.8607e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567356991067769 (2.42087e-06% change) linmin: converged after 22 iterations. iteration 12: trace = 5.567356957505905 (6.02833e-07% change) linmin: converged after 10 iterations. iteration 13: trace = 5.56735694884352 (1.55592e-07% change) linmin: converged after 6 iterations. iteration 14: trace = 5.567356946798327 (3.67354e-08% change) linmin: converged after 18 iterations. iteration 15: trace = 5.56735694609313 (1.26666e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.567356945636326 (8.20505e-09% change) linmin: converged after 21 iterations. iteration 17: trace = 5.567356945304206 (5.96549e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567356944950221 (6.35821e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.567356944690509 (4.66491e-09% change) linmin: converged after 17 iterations. iteration 20: trace = 5.567356944584954 (1.89597e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 5.567356944550362 (6.21334e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.567356944542206 (1.46483e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.567356944539208 (5.38584e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.392756, 0.521577, 0.705571, 0.77011, 0.86865, 1.00251, 1.02766, 1.11107 elapsed time for k point: 0.19773268699645996 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.532738106739442 (0.208662% change) linmin: converged after 4 iterations. iteration 2: trace = 5.530094842106188 (0.0477864% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529443009713296 (0.0117877% change) linmin: converged after 4 iterations. iteration 4: trace = 5.529317903819354 (0.00226257% change) linmin: converged after 5 iterations. iteration 5: trace = 5.529282320151308 (0.000643547% change) linmin: converged after 3 iterations. iteration 6: trace = 5.529274170468502 (0.000147391% change) linmin: converged after 11 iterations. iteration 7: trace = 5.529272236623838 (3.49747e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.5292716061088 (1.14032e-05% change) linmin: converged after 7 iterations. iteration 9: trace = 5.529271436020418 (3.07614e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 5.529271373878327 (1.12387e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.529271337491394 (6.58078e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.52927132074097 (3.02941e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.529271315549561 (9.38896e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.529271314495563 (1.90622e-08% change) linmin: converged after 11 iterations. iteration 15: trace = 5.529271314233551 (4.73863e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 5.529271314081589 (2.74832e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.529271313980217 (1.83337e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 5.529271313876952 (1.86759e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.529271313777751 (1.79412e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.529271313733421 (8.01731e-10% change) linmin: converged after 6 iterations. iteration 21: trace = 5.529271313721338 (2.18524e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.529271313719444 (3.42628e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.468428, 0.473072, 0.683225, 0.767661, 0.866987, 1.00052, 1.02137, 1.11088 elapsed time for k point: 0.18857526779174805 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.538985517443958 (0.141109% change) linmin: converged after 4 iterations. iteration 2: trace = 5.534550185467106 (0.0801069% change) linmin: converged after 4 iterations. iteration 3: trace = 5.533288931113947 (0.0227913% change) linmin: converged after 4 iterations. iteration 4: trace = 5.532631711817791 (0.0118783% change) linmin: converged after 4 iterations. iteration 5: trace = 5.532342815996267 (0.00522181% change) linmin: converged after 4 iterations. iteration 6: trace = 5.532236579885567 (0.00192029% change) linmin: converged after 4 iterations. iteration 7: trace = 5.532184612246409 (0.000939365% change) linmin: converged after 5 iterations. iteration 8: trace = 5.532165289409582 (0.000349281% change) linmin: converged after 4 iterations. iteration 9: trace = 5.532156997902883 (0.000149878% change) linmin: converged after 4 iterations. iteration 10: trace = 5.532154378963374 (4.73403e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.532153853741134 (9.49399e-06% change) linmin: converged after 18 iterations. iteration 12: trace = 5.532153673436559 (3.25921e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.53215362460911 (8.82612e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.532153611036557 (2.45339e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.532153607469195 (6.44842e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.53215360667282 (1.43954e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.532153606425394 (4.47251e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 5.532153606309885 (2.08795e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.532153606238232 (1.29521e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.532153606171855 (1.19984e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 5.532153606115743 (1.01428e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.532153606087492 (5.10672e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.532153606073374 (2.55208e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.53215360606891 (8.06916e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.472654, 0.474197, 0.67604, 0.772695, 0.866879, 0.969813, 1.05066, 1.11081 elapsed time for k point: 0.20468664169311523 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.545510165455831 (0.156486% change) linmin: converged after 4 iterations. iteration 2: trace = 5.539701350584467 (0.104803% change) linmin: converged after 4 iterations. iteration 3: trace = 5.537423366332509 (0.0411295% change) linmin: converged after 4 iterations. iteration 4: trace = 5.535869635930242 (0.0280627% change) linmin: converged after 4 iterations. iteration 5: trace = 5.53510533592248 (0.0138073% change) linmin: converged after 5 iterations. iteration 6: trace = 5.534839899498088 (0.00479562% change) linmin: converged after 4 iterations. iteration 7: trace = 5.534735453565334 (0.00188708% change) linmin: converged after 4 iterations. iteration 8: trace = 5.534709296156167 (0.000472606% change) linmin: converged after 5 iterations. iteration 9: trace = 5.534699673866195 (0.000173854% change) linmin: converged after 4 iterations. iteration 10: trace = 5.534696883149081 (5.04222e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.534696297656414 (1.05786e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.534696086069298 (3.82292e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.534696023141968 (1.13696e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.534696003432246 (3.56112e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.534695997023208 (1.15797e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.534695995144548 (3.39433e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.5346959945109 (1.14486e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.534695994207871 (5.47509e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.534695994030399 (3.20654e-09% change) linmin: converged after 13 iterations. iteration 20: trace = 5.534695993871263 (2.87524e-09% change) linmin: converged after 7 iterations. iteration 21: trace = 5.534695993784577 (1.56623e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.534695993753227 (5.66427e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.534695993742771 (1.88911e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.534695993739176 (6.49601e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.477432, 0.485081, 0.657266, 0.784802, 0.866577, 0.932933, 1.08112, 1.11059 elapsed time for k point: 0.20476365089416504 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.539951339881335 (0.178088% change) linmin: converged after 4 iterations. iteration 2: trace = 5.532912895848135 (0.12713% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529976673731623 (0.0530824% change) linmin: converged after 4 iterations. iteration 4: trace = 5.528255687466652 (0.0311259% change) linmin: converged after 4 iterations. iteration 5: trace = 5.527477327141121 (0.0140807% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52726062743316 (0.00392049% change) linmin: converged after 4 iterations. iteration 7: trace = 5.52717495001076 (0.0015501% change) linmin: converged after 4 iterations. iteration 8: trace = 5.527154244268933 (0.000374618% change) linmin: converged after 4 iterations. iteration 9: trace = 5.5271445781254 (0.000174885% change) linmin: converged after 2 iterations. iteration 10: trace = 5.527141353729435 (5.83375e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.52714047204988 (1.59518e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.527140149104514 (5.8429e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.527140063332191 (1.55184e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 5.527140039497725 (4.31226e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.527140030767502 (1.57952e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.527140027391184 (6.10862e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.527140025708309 (3.04475e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 5.52714002473985 (1.75219e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 5.527140024249716 (8.86777e-09% change) linmin: converged after 12 iterations. iteration 20: trace = 5.527140024034408 (3.89546e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.527140023982146 (9.45556e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.527140023969886 (2.21822e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.527140023966946 (5.31897e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.48232, 0.50501, 0.630584, 0.799745, 0.866126, 0.900465, 1.09936, 1.11024 elapsed time for k point: 0.1963365077972412 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.522657858705256 (0.154096% change) linmin: converged after 4 iterations. iteration 2: trace = 5.517653440237364 (0.0906572% change) linmin: converged after 4 iterations. iteration 3: trace = 5.515894145977595 (0.0318899% change) linmin: converged after 6 iterations. iteration 4: trace = 5.515136110127278 (0.0137437% change) linmin: converged after 5 iterations. iteration 5: trace = 5.514757022135007 (0.00687383% change) linmin: converged after 4 iterations. iteration 6: trace = 5.514652113037961 (0.00190235% change) linmin: converged after 4 iterations. iteration 7: trace = 5.514602232261587 (0.000904518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.514589888307778 (0.000223841% change) linmin: converged after 6 iterations. iteration 9: trace = 5.514584139299525 (0.000104251% change) linmin: converged after 5 iterations. iteration 10: trace = 5.514582298956622 (3.33723e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.514581753925804 (9.88345e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.514581551297036 (3.67442e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.514581501626854 (9.00706e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.514581491384371 (1.85735e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.514581488005884 (6.12646e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.514581486953493 (1.90838e-08% change) linmin: converged after 14 iterations. iteration 17: trace = 5.514581486665211 (5.22764e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 5.514581486577285 (1.59443e-09% change) linmin: converged after 5 iterations. iteration 19: trace = 5.514581486551828 (4.6163e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.514581486536877 (2.71112e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.514581486529242 (1.38463e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.514581486526157 (5.59361e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.487852, 0.531427, 0.598151, 0.814208, 0.865617, 0.875643, 1.10711, 1.10983 elapsed time for k point: 0.1883833408355713 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.513146354884039 (0.11801% change) linmin: converged after 3 iterations. iteration 2: trace = 5.51012167734223 (0.0548781% change) linmin: converged after 4 iterations. iteration 3: trace = 5.509211811143174 (0.016514% change) linmin: converged after 4 iterations. iteration 4: trace = 5.508907839981807 (0.00551766% change) linmin: converged after 4 iterations. iteration 5: trace = 5.508737669131335 (0.00308906% change) linmin: converged after 3 iterations. iteration 6: trace = 5.508683639257635 (0.000980808% change) linmin: converged after 5 iterations. iteration 7: trace = 5.508654122067279 (0.000535832% change) linmin: converged after 4 iterations. iteration 8: trace = 5.508646692888519 (0.000134864% change) linmin: converged after 5 iterations. iteration 9: trace = 5.508643590274299 (5.63226e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.508642644310975 (1.71723e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.508642365130626 (5.06804e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.508642262323833 (1.86628e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.508642237881131 (4.43716e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.508642233589995 (7.78982e-08% change) linmin: converged after 20 iterations. iteration 15: trace = 5.508642232550772 (1.88653e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.508642232232832 (5.77165e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.508642232157102 (1.37474e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.508642232135505 (3.92072e-10% change) linmin: converged after 5 iterations. iteration 19: trace = 5.508642232131615 (7.06042e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.491236, 0.563106, 0.563151, 0.821423, 0.865195, 0.865231, 1.10923, 1.10941 elapsed time for k point: 0.16350102424621582 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.550581183131667 (0.389346% change) linmin: converged after 4 iterations. iteration 2: trace = 5.542766757881715 (0.140885% change) linmin: converged after 4 iterations. iteration 3: trace = 5.540530252342741 (0.0403581% change) linmin: converged after 4 iterations. iteration 4: trace = 5.53978255367069 (0.013496% change) linmin: converged after 4 iterations. iteration 5: trace = 5.539265295830655 (0.00933759% change) linmin: converged after 4 iterations. iteration 6: trace = 5.53906791839558 (0.00356331% change) linmin: converged after 4 iterations. iteration 7: trace = 5.538979756672792 (0.00159165% change) linmin: converged after 4 iterations. iteration 8: trace = 5.538958695418001 (0.000380238% change) linmin: converged after 4 iterations. iteration 9: trace = 5.538951634380069 (0.00012748% change) linmin: converged after 5 iterations. iteration 10: trace = 5.538948975756815 (4.79987e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.538948192460798 (1.41416e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.538947835307386 (6.44804e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.538947686577488 (2.68517e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.538947636561995 (9.02978e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.538947618030208 (3.34572e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538947613905389 (7.44694e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.538947613187707 (1.2957e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.538947612989031 (3.58689e-09% change) linmin: converged after 10 iterations. iteration 19: trace = 5.538947612948642 (7.29182e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 5.538947612937275 (2.05234e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.538947612933677 (6.49423e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.446126, 0.532191, 0.637012, 0.806654, 0.86614, 0.893198, 1.10593, 1.10866 elapsed time for k point: 0.17981624603271484 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.647301200645337 (0.329684% change) linmin: converged after 4 iterations. iteration 2: trace = 5.640927549635865 (0.112926% change) linmin: converged after 4 iterations. iteration 3: trace = 5.638790479469373 (0.0378923% change) linmin: converged after 4 iterations. iteration 4: trace = 5.637897868756189 (0.0158311% change) linmin: converged after 4 iterations. iteration 5: trace = 5.637265321497821 (0.0112202% change) linmin: converged after 4 iterations. iteration 6: trace = 5.637035875264498 (0.00407025% change) linmin: converged after 4 iterations. iteration 7: trace = 5.636936166368278 (0.00176883% change) linmin: converged after 4 iterations. iteration 8: trace = 5.636905106755415 (0.000551003% change) linmin: converged after 3 iterations. iteration 9: trace = 5.636896042414137 (0.000160804% change) linmin: converged after 5 iterations. iteration 10: trace = 5.636893338294104 (4.79718e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.636892881857396 (8.09731e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.636892759768447 (2.16589e-06% change) linmin: converged after 7 iterations. iteration 13: trace = 5.636892722735104 (6.56982e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.636892712210958 (1.86701e-07% change) linmin: converged after 10 iterations. iteration 15: trace = 5.636892708239734 (7.04506e-08% change) linmin: converged after 6 iterations. iteration 16: trace = 5.636892706830086 (2.50075e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.636892706179626 (1.15393e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 5.636892705778895 (7.10908e-09% change) linmin: converged after 7 iterations. iteration 19: trace = 5.636892705608984 (3.01427e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.636892705551562 (1.01869e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.636892705530972 (3.65268e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.63689270552658 (7.7916e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.345267, 0.542882, 0.713396, 0.795022, 0.875814, 0.938821, 1.09707, 1.10904 elapsed time for k point: 0.18826937675476074 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.818503972293311 (0.323359% change) linmin: converged after 4 iterations. iteration 2: trace = 5.811864946634827 (0.114167% change) linmin: converged after 3 iterations. iteration 3: trace = 5.809596955592536 (0.0390311% change) linmin: converged after 4 iterations. iteration 4: trace = 5.808664036812534 (0.0160595% change) linmin: converged after 4 iterations. iteration 5: trace = 5.80805968431492 (0.0104049% change) linmin: converged after 4 iterations. iteration 6: trace = 5.807780352580117 (0.0048095% change) linmin: converged after 4 iterations. iteration 7: trace = 5.807591816899166 (0.00324631% change) linmin: converged after 4 iterations. iteration 8: trace = 5.807497036546548 (0.00163202% change) linmin: converged after 6 iterations. iteration 9: trace = 5.80746323077131 (0.000582107% change) linmin: converged after 4 iterations. iteration 10: trace = 5.807448604624899 (0.000251851% change) linmin: converged after 3 iterations. iteration 11: trace = 5.807443106317817 (9.46769e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.807439494876422 (6.21864e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.807437481552954 (3.4668e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.807436670284366 (1.39695e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.807436289960404 (6.54891e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.807436162892383 (2.18802e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.807436126334484 (6.29502e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 5.807436116187892 (1.74717e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.807436113287419 (4.99441e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.807436112416769 (1.4992e-08% change) linmin: converged after 5 iterations. iteration 21: trace = 5.807436112088624 (5.65044e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.807436111990087 (1.69673e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 5.80743611192849 (1.06067e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 5.807436111892701 (6.16249e-10% change) linmin: converged after 11 iterations. iteration 25: trace = 5.807436111861504 (5.37195e-10% change) linmin: converged after 10 iterations. iteration 26: trace = 5.807436111844969 (2.84725e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.807436111839936 (8.667e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.233479, 0.553269, 0.768719, 0.792196, 0.912766, 0.987203, 1.08919, 1.11098 elapsed time for k point: 0.22966527938842773 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.058568816406384 (0.404469% change) linmin: converged after 4 iterations. iteration 2: trace = 6.047217423444749 (0.187537% change) linmin: converged after 4 iterations. iteration 3: trace = 6.042869353634715 (0.0719279% change) linmin: converged after 4 iterations. iteration 4: trace = 6.041115569071314 (0.0290266% change) linmin: converged after 3 iterations. iteration 5: trace = 6.04028147695761 (0.0138079% change) linmin: converged after 3 iterations. iteration 6: trace = 6.039949783541464 (0.00549151% change) linmin: converged after 3 iterations. iteration 7: trace = 6.039732337732389 (0.00360019% change) linmin: converged after 4 iterations. iteration 8: trace = 6.039536476498158 (0.00324293% change) linmin: converged after 5 iterations. iteration 9: trace = 6.03936642915051 (0.00281561% change) linmin: converged after 4 iterations. iteration 10: trace = 6.03923834754302 (0.0021208% change) linmin: converged after 3 iterations. iteration 11: trace = 6.039190527154678 (0.000791831% change) linmin: converged after 4 iterations. iteration 12: trace = 6.039166804291308 (0.000392816% change) linmin: converged after 4 iterations. iteration 13: trace = 6.039155082215229 (0.000194101% change) linmin: converged after 7 iterations. iteration 14: trace = 6.039151356031249 (6.17004e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.039149892355139 (2.42365e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 6.039149291361486 (9.95163e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 6.039148998716706 (4.84579e-06% change) linmin: converged after 11 iterations. iteration 18: trace = 6.039148870832844 (2.11758e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 6.039148806998117 (1.05702e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 6.039148770818795 (5.9908e-07% change) linmin: converged after 16 iterations. iteration 21: trace = 6.039148755037936 (2.61309e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 6.039148750226639 (7.96685e-08% change) linmin: converged after 6 iterations. iteration 23: trace = 6.039148748437139 (2.96317e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 6.039148747734938 (1.16275e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 6.039148747103789 (1.0451e-08% change) linmin: converged after 18 iterations. iteration 26: trace = 6.039148746498641 (1.00204e-08% change) linmin: converged after 25 iterations. iteration 27: trace = 6.039148745995291 (8.33477e-09% change) linmin: converged after 6 iterations. iteration 28: trace = 6.039148745700741 (4.87735e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 6.039148745569348 (2.17568e-09% change) linmin: converged after 19 iterations. iteration 30: trace = 6.03914874551018 (9.79752e-10% change) linmin: converged after 19 iterations. iteration 31: trace = 6.039148745490021 (3.33805e-10% change) linmin: converged after 5 iterations. iteration 32: trace = 6.039148745481265 (1.44982e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 6.039148745478506 (4.568e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117556, 0.559323, 0.789736, 0.793576, 0.983043, 1.02374, 1.09661, 1.11448 elapsed time for k point: 0.2803008556365967 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.298730915249004 (0.895356% change) linmin: converged after 5 iterations. iteration 2: trace = 6.245437546877633 (0.849692% change) linmin: converged after 4 iterations. iteration 3: trace = 6.223334153911324 (0.35454% change) linmin: converged after 4 iterations. iteration 4: trace = 6.211975635429889 (0.182682% change) linmin: converged after 4 iterations. iteration 5: trace = 6.208144497516351 (0.0616924% change) linmin: converged after 3 iterations. iteration 6: trace = 6.206836175372338 (0.0210765% change) linmin: converged after 4 iterations. iteration 7: trace = 6.206168982922032 (0.0107499% change) linmin: converged after 4 iterations. iteration 8: trace = 6.205804637847379 (0.00587086% change) linmin: converged after 4 iterations. iteration 9: trace = 6.205532505966532 (0.00438521% change) linmin: converged after 4 iterations. iteration 10: trace = 6.205428325424255 (0.00167885% change) linmin: converged after 4 iterations. iteration 11: trace = 6.205403953116963 (0.000392759% change) linmin: converged after 5 iterations. iteration 12: trace = 6.205389695902191 (0.000229755% change) linmin: converged after 18 iterations. iteration 13: trace = 6.205378818818216 (0.000175285% change) linmin: converged after 5 iterations. iteration 14: trace = 6.205369022900435 (0.000157862% change) linmin: converged after 5 iterations. iteration 15: trace = 6.205362148408474 (0.000110783% change) linmin: converged after 5 iterations. iteration 16: trace = 6.205354260892716 (0.000127108% change) linmin: converged after 5 iterations. iteration 17: trace = 6.205347521566862 (0.000108605% change) linmin: converged after 5 iterations. iteration 18: trace = 6.205343387171222 (6.66264e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 6.20534029103226 (4.98947e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 6.205338895537118 (2.24886e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 6.205338348830014 (8.81027e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 6.205338035122786 (5.05544e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 6.205337843118105 (3.09419e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 6.205337736263877 (1.72197e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 6.205337681834896 (8.77132e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.205337658438699 (3.77033e-07% change) linmin: converged after 27 iterations. iteration 27: trace = 6.205337650174804 (1.33174e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 6.205337648379759 (2.89274e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 6.205337647812924 (9.13463e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 6.20533764752612 (4.6219e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 6.205337647305313 (3.55833e-09% change) linmin: converged after 7 iterations. iteration 32: trace = 6.205337647187886 (1.89237e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 6.205337647139038 (7.8718e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 6.20533764712735 (1.88361e-10% change) linmin: converged after 12 iterations. iteration 35: trace = 6.205337647122207 (8.28874e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 elapsed time for k point: 0.23267745971679688 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675775 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.47307223902807605 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714034 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 3 range: 0.563150519855903 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839734 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.767661479903902 at Vector3<0.0, 0.5, 0.0> to 0.8214230044191516 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.8651948144415247 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0334130018594299 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8652307994936865 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0334230910419837 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.0213676691093687 at Vector3<0.0, 0.5, 0.0> to 1.1159669907575198 at Vector3<0.0, 0.0, 0.0> Band 8 range: 1.108662658537425 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.1168107191255376 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.5631059378714034) to band 3 (0.563150519855903), 0.007916844195432942% Gap from band 4 (0.8214230044191516) to band 5 (0.8651948144415247), 5.1904835266048925% total elapsed time for run: 3.555260181427002 done epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill" Read lattice vectors Read Bloch wavevector (0, 0, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: 1 .. 12 ./tmp/meepW1wGQn/test_tri_rods-0: 5.50s /tmp/meepW1wGQn/test_triangular_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004776716232299805 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403983 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549292 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.84352701122289 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441988 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792534 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692739 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908757 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295163921 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448073 (0.0145112% change) linmin: converged after 5 iterations. iteration 10: trace = 4.578003942463019 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765468 (0.00162274% change) linmin: converged after 8 iterations. iteration 12: trace = 4.577907037545199 (0.000494028% change) linmin: converged after 5 iterations. iteration 13: trace = 4.577897255801745 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.57789508633627 (4.739e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.57789469636567 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894636935355 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221464 (1.68503e-07% change) linmin: converged after 8 iterations. iteration 18: trace = 4.577894627568691 (3.61033e-08% change) linmin: converged after 6 iterations. iteration 19: trace = 4.577894626939197 (1.37507e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.577894626693595 (5.36495e-09% change) linmin: converged after 12 iterations. iteration 21: trace = 4.577894626612556 (1.77023e-09% change) linmin: converged after 13 iterations. iteration 22: trace = 4.577894626584484 (6.13222e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.577894626574819 (2.11107e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572808 (4.39443e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.16930365562438965 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720173 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.553362423580495 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778888997 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.54723569125933 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078174 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887486 (0.000982783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.546668812199721 (0.0001536% change) linmin: converged after 5 iterations. iteration 8: trace = 4.546667474444718 (2.94228e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 4.546667093982198 (8.36794e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.546667026314634 (1.48829e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.546667010167313 (3.55146e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.546667005947761 (9.28054e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.546667004173655 (3.90199e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.546667003528526 (1.41891e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.546667003425869 (2.25786e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.546667003411077 (3.25331e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 4.546667003406391 (1.03065e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404457 (4.25466e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.15464472770690918 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501469826 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577211217 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622181 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.45699807393535 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102497 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934249 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362191 (9.95243e-05% change) linmin: converged after 18 iterations. iteration 8: trace = 4.456771848143077 (9.67559e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.456771805503835 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201267 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345359 (4.16424e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.45677179666402 (1.52877e-08% change) linmin: converged after 12 iterations. iteration 13: trace = 4.456771796571513 (2.07566e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.456771796564526 (1.56759e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 4.456771796562705 (4.08539e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.12986254692077637 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410844 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668878 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944972 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463695 (0.00735182% change) linmin: converged after 5 iterations. iteration 5: trace = 4.364572744594431 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346524 (0.000152071% change) linmin: converged after 3 iterations. iteration 7: trace = 4.364565316740358 (1.81142e-05% change) linmin: converged after 13 iterations. iteration 8: trace = 4.36456523912619 (1.77828e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.364565234500084 (1.05992e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.364565233724117 (1.77788e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.364565233381506 (7.84984e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.36456523330673 (1.71325e-09% change) linmin: converged after 8 iterations. iteration 13: trace = 4.364565233299625 (1.62798e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.364565233298254 (3.13997e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.12157225608825684 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604866 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984186 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865018 (0.0151441% change) linmin: converged after 4 iterations. iteration 4: trace = 4.304101774804951 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722034 (0.000679937% change) linmin: converged after 4 iterations. iteration 6: trace = 4.304070117659416 (5.55767e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.304069984297114 (3.09852e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945504 (6.90153e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.304069964779023 (2.71018e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.304069964479552 (6.95785e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.304069964440697 (9.02753e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.304069964437603 (7.18951e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.11322426795959473 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238561 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.284124961328375 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492502 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.2835023031187 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024279 (0.000553453% change) linmin: converged after 7 iterations. iteration 6: trace = 4.283477154458746 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.283477077810688 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330033 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817823 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.28347706577044 (2.44517e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633828 (3.18929e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283477065618211 (3.64583e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.283477065616433 (4.15114e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.11308884620666504 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825463 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831363 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994831 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692772 (0.00782874% change) linmin: converged after 4 iterations. iteration 5: trace = 4.264488730548918 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097835 (0.000287994% change) linmin: converged after 4 iterations. iteration 7: trace = 4.264474782181725 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738403 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967127 (2.52582e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.264474631257336 (1.66443e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.264474631203496 (1.26251e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.264474631199771 (8.735e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.10505914688110352 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565429 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374738 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204027 (0.01063% change) linmin: converged after 5 iterations. iteration 4: trace = 4.228604967100097 (0.00120406% change) linmin: converged after 6 iterations. iteration 5: trace = 4.228597156343837 (0.000184713% change) linmin: converged after 14 iterations. iteration 6: trace = 4.228595847507815 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484543 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.228595653669718 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361875 (3.09285e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.228595652271401 (2.13958e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.228595652264811 (1.55829e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.228595652264469 (8.08658e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.1051626205444336 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849722 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159246 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731935 (0.00284883% change) linmin: converged after 4 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 2 iterations. iteration 5: trace = 4.196577861660908 (1.0875e-05% change) linmin: converged after 6 iterations. iteration 6: trace = 4.196577824465238 (8.86333e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 4.196577821831923 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279778 (1.3157e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.19657782123355 (1.10156e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 4.196577821229711 (9.14723e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.08841824531555176 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862474 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735219 (0.0198514% change) linmin: converged after 6 iterations. iteration 3: trace = 4.175658188677829 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 4 iterations. iteration 5: trace = 4.175651823639797 (1.24495e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.175651765087073 (1.40224e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.175651761832765 (7.79353e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361386 (1.12888e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.175651761335721 (6.1463e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 4.175651761333512 (5.28995e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.08834981918334961 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974825 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847979 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223788 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634319 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651687 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612855 (9.31579e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 4.168411689609142 (8.90648e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.08009934425354004 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.20121840786123 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957314 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510744 (0.000784095% change) linmin: converged after 4 iterations. iteration 5: trace = 4.197854429378011 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525584 (8.42936e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.197854052380285 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68083e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.197854050317018 (2.3422e-09% change) linmin: converged after 10 iterations. iteration 10: trace = 4.197854050309859 (1.70533e-10% change) linmin: converged after 7 iterations. iteration 11: trace = 4.197854050309302 (1.3266e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.09681844711303711 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338975 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011071 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 6 iterations. iteration 4: trace = 4.28328143883801 (0.00210466% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283267824693608 (0.000317844% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283266579370461 (2.90741e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.283266497834246 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102651 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093189 (2.35676e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283266489000646 (2.16059e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.283266488991159 (2.21481e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.283266488990681 (1.1156e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.10494852066040039 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060165 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164764 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.41063363442606 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814337 (0.00987906% change) linmin: converged after 5 iterations. iteration 5: trace = 4.410114427040232 (0.00189335% change) linmin: converged after 6 iterations. iteration 6: trace = 4.410103889016638 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711945 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698953 (2.90272e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.410102277309539 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815384 (5.65555e-08% change) linmin: converged after 18 iterations. iteration 11: trace = 4.410102274561975 (5.7461e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546349 (3.54337e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.410102274545239 (2.51544e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.11332225799560547 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101575 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258572 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323362 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319918 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553308 (0.0146622% change) linmin: converged after 5 iterations. iteration 6: trace = 4.534531477384965 (0.00142272% change) linmin: converged after 5 iterations. iteration 7: trace = 4.534520999244494 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738524 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347477 (1.82245e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 4.534517685393301 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423043 (9.0352e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208922 (3.79624e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618738 (7.91746e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.534517622906271 (1.57121e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.534517622781561 (2.75024e-09% change) linmin: converged after 17 iterations. iteration 16: trace = 4.534517622760761 (4.5869e-10% change) linmin: converged after 7 iterations. iteration 17: trace = 4.534517622757199 (7.85637e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.14644861221313477 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082300806 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477336711 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993236313 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771380172 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393190039 (0.00557828% change) linmin: converged after 5 iterations. iteration 6: trace = 4.577915173102125 (0.000900408% change) linmin: converged after 5 iterations. iteration 7: trace = 4.577900193795445 (0.000327209% change) linmin: converged after 4 iterations. iteration 8: trace = 4.577895724955976 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564439 (2.15468e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.577894647524325 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981874 (3.39511e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.577894627560065 (9.65904e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577894626684431 (1.91274e-08% change) linmin: converged after 7 iterations. iteration 14: trace = 4.577894626586344 (2.14262e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573651 (2.77266e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.577894626572484 (2.54935e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 .. ====================================================================== FAIL: test_diamond (__main__.TestModeSolver.test_diamond) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 905, in test_diamond self.compare_h5_files(ref_path, res_path) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 236, in compare_h5_files compare_arrays(self, ref[k][()], res[k][()], tol=tol) File "/build/reproducible-path/meep-1.25.0/python/tests/utils.py", line 17, in compare_arrays test_instance.assertLess(diff, tol) AssertionError: 0.6768966296541905 not less than 0.001 ====================================================================== FAIL: test_epsilon_input_file (__main__.TestModeSolver.test_epsilon_input_file) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 1743, in test_epsilon_input_file self.check_gap_list(expected_gap_list, ms.gap_list) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 212, in check_gap_list self.check_freqs(expected_gap_list, result) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 209, in check_freqs self.assertAlmostEqual(r, e, places=3) AssertionError: 1.4651880980148344 != 1.469257717113039 within 3 places (0.00406961909820458 difference) ====================================================================== FAIL: test_hole_slab (__main__.TestModeSolver.test_hole_slab) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 934, in test_hole_slab self.compare_h5_files(ref_path, res_path) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 234, in compare_h5_files self.assertEqual(ref[k][()], res[k][()]) AssertionError: b'h field, kpoint 1, band 9, freq=0.592619' != b'h field, kpoint 1, band 9, freq=0.59253' ====================================================================== FAIL: test_strip (__main__.TestModeSolver.test_strip) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 1193, in test_strip self.assertAlmostEqual(e, r, places=3) AssertionError: -0.9945407488966614 != -0.995090516581305 within 3 places (0.0005497676846435429 difference) ---------------------------------------------------------------------- Ran 47 tests in 628.126s FAILED (failures=4) elapsed time for k point: 0.11350464820861816 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471573 at Vector3<0.0, 0.5, 0.0> to 0.560518142316283 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027671 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797749 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585147 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443699 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327573 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537568 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443266 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903452 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739193 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664871 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8992499095547029 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156901 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623627) to band 2 (0.4453310808471573), 47.39883483854642% Gap from band 3 (0.5605607947797749) to band 4 (0.5932960873585147), 5.67406462369506% Gap from band 4 (0.7907195974443699) to band 5 (0.7908320763327573), 0.01422386511327371% Gap from band 5 (0.8374511167537568) to band 6 (0.8375948528443266), 0.017162047272554836% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739193), 0.22277591092796523% total elapsed time for run: 1.8499107360839844 done /tmp/meepW1wGQn/test_triangular_lattice-0: 1.85s /tmp/meepW1wGQn/test_update_band_range_data-0 ======================== /tmp/meepW1wGQn/test_update_band_range_data-0: 0.00s Elapsed run time = 628.1865 s FAIL tests/test_mpb.py (exit status: 1) FAIL: tests/test_refl_angular ============================= Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_refl_angular.py", line 5, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_refl_angular.py (exit status: 1) FAIL: tests/test_special_kz =========================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_special_kz.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_special_kz.py (exit status: 1) ## check whether testsuite runs everywhere #make check; \ #cat python/test-suite.log make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' create-stamp debian/debhelper-build-stamp dh_prep debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' dh_installchangelogs NEWS.md dh_auto_install make -j1 install DESTDIR=/build/reproducible-path/meep-1.25.0/debian/tmp AM_UPDATE_INFO_DIR=no make[2]: Entering directory '/build/reproducible-path/meep-1.25.0' Making install in src make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make install-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' Making install in support make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src/support' make[6]: Entering directory '/build/reproducible-path/meep-1.25.0/src/support' make[6]: Nothing to be done for 'install-exec-am'. make[6]: Nothing to be done for 'install-data-am'. make[6]: Leaving directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make[6]: Entering directory '/build/reproducible-path/meep-1.25.0/src' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf' /bin/bash ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf' libtool: install: /usr/bin/install -c .libs/libmeep.so.30.0.0 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf/libmeep.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf && { ln -s -f libmeep.so.30.0.0 libmeep.so.30 || { rm -f libmeep.so.30 && ln -s libmeep.so.30.0.0 libmeep.so.30; }; }) libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf && { ln -s -f libmeep.so.30.0.0 libmeep.so || { rm -f libmeep.so && ln -s libmeep.so.30.0.0 libmeep.so; }; }) libtool: install: /usr/bin/install -c .libs/libmeep.lai /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf/libmeep.la libtool: install: /usr/bin/install -c .libs/libmeep.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf/libmeep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf/libmeep.a libtool: install: arm-linux-gnueabihf-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf/libmeep.a libtool: warning: remember to run 'libtool --finish /usr/lib/arm-linux-gnueabihf' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include' /usr/bin/install -c -m 644 meep.hpp '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include/meep' /usr/bin/install -c -m 644 meep/mympi.hpp meep/vec.hpp meep/meep-config.h meepgeom.hpp material_data.hpp adjust_verbosity.hpp '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include/meep' make[6]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' Making install in tests make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make[4]: Nothing to be done for 'install-exec-am'. make[4]: Nothing to be done for 'install-data-am'. make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' Making install in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' make install-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin' /bin/bash ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin' libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/arm-linux-gnueabihf' libtool: install: /usr/bin/install -c .libs/meep /build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin/meep /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/share/meep' /usr/bin/install -c -m 644 meep.scm meep-enums.scm casimir.scm materials.scm '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/share/meep' make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' Making install in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf' /bin/bash ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf' libtool: warning: relinking 'libpympb.la' libtool: install: (cd /build/reproducible-path/meep-1.25.0/libpympb; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o libpympb.la -rpath /usr/lib/arm-linux-gnueabihf libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: arm-linux-gnueabihf-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf/crti.o /usr/lib/gcc/arm-linux-gnueabihf/13/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/arm-linux-gnueabihf/13/crtendS.o /usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -Wl,-soname -Wl,libpympb.so.30 -o .libs/libpympb.so.30.0.0 libtool: install: /usr/bin/install -c .libs/libpympb.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf/libpympb.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf && { ln -s -f libpympb.so.30.0.0 libpympb.so.30 || { rm -f libpympb.so.30 && ln -s libpympb.so.30.0.0 libpympb.so.30; }; }) libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf && { ln -s -f libpympb.so.30.0.0 libpympb.so || { rm -f libpympb.so && ln -s libpympb.so.30.0.0 libpympb.so; }; }) libtool: install: /usr/bin/install -c .libs/libpympb.lai /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf/libpympb.la libtool: install: /usr/bin/install -c .libs/libpympb.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf/libpympb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf/libpympb.a libtool: install: arm-linux-gnueabihf-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf/libpympb.a libtool: warning: remember to run 'libtool --finish /usr/lib/arm-linux-gnueabihf' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include/meep' /usr/bin/install -c -m 644 pympb.hpp '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include/meep' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/libpympb' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/libpympb' Making install in python make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make install-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/python' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' /bin/bash ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' libtool: warning: relinking '_meep.la' libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: arm-linux-gnueabihf-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf/crti.o /usr/lib/gcc/arm-linux-gnueabihf/13/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/arm-linux-gnueabihf/13/crtendS.o /usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -Wl,-soname -Wl,_meep.so.30 -o .libs/_meep.so.30.0.0 libtool: install: /usr/bin/install -c .libs/_meep.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep && { ln -s -f _meep.so.30.0.0 _meep.so.30 || { rm -f _meep.so.30 && ln -s _meep.so.30.0.0 _meep.so.30; }; }) libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep && { ln -s -f _meep.so.30.0.0 _meep.so || { rm -f _meep.so && ln -s _meep.so.30.0.0 _meep.so; }; }) libtool: install: /usr/bin/install -c .libs/_meep.lai /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.la libtool: install: /usr/bin/install -c .libs/_meep.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.a libtool: install: arm-linux-gnueabihf-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.a libtool: warning: remember to run 'libtool --finish /usr/lib/python3.12/site-packages/meep' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/adjoint' /usr/bin/install -c -m 644 ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/wrapper.py ./adjoint/utils.py '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/adjoint' Byte-compiling python modules... __init__.pybasis.pyobjective.pyoptimization_problem.pyfilters.pyfilter_source.pyconnectivity.pywrapper.pyutils.py Byte-compiling python modules (optimized versions) ... __init__.pybasis.pyobjective.pyoptimization_problem.pyfilters.pyfilter_source.pyconnectivity.pywrapper.pyutils.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' /usr/bin/install -c -m 644 __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' Byte-compiling python modules... __init__.pybinary_partition_utils.pychunk_balancer.pygeom.pysimulation.pysource.pytiming_measurements.pyvisualization.pymaterials.pyverbosity_mgr.py Byte-compiling python modules (optimized versions) ... __init__.pybinary_partition_utils.pychunk_balancer.pygeom.pysimulation.pysource.pytiming_measurements.pyvisualization.pymaterials.pyverbosity_mgr.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' /bin/bash ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' libtool: warning: relinking '_mpb.la' libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink arm-linux-gnueabihf-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: arm-linux-gnueabihf-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf/crti.o /usr/lib/gcc/arm-linux-gnueabihf/13/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/arm-linux-gnueabihf/13 -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf -L/usr/lib/gcc/arm-linux-gnueabihf/13/../../.. -L/lib/arm-linux-gnueabihf -L/usr/lib/arm-linux-gnueabihf/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/arm-linux-gnueabihf/13/crtendS.o /usr/lib/gcc/arm-linux-gnueabihf/13/../../../arm-linux-gnueabihf/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/arm-linux-gnueabihf/hdf5/serial -Wl,-soname -Wl,_mpb.so.30 -o .libs/_mpb.so.30.0.0 libtool: install: /usr/bin/install -c .libs/_mpb.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb && { ln -s -f _mpb.so.30.0.0 _mpb.so.30 || { rm -f _mpb.so.30 && ln -s _mpb.so.30.0.0 _mpb.so.30; }; }) libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb && { ln -s -f _mpb.so.30.0.0 _mpb.so || { rm -f _mpb.so && ln -s _mpb.so.30.0.0 _mpb.so; }; }) libtool: install: /usr/bin/install -c .libs/_mpb.lai /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.la libtool: install: /usr/bin/install -c .libs/_mpb.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.a libtool: install: arm-linux-gnueabihf-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.a libtool: warning: remember to run 'libtool --finish /usr/lib/python3.12/site-packages/meep/mpb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' /usr/bin/install -c -m 644 mpb.py solver.py mpb_data.py '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' Byte-compiling python modules... mpb.pysolver.pympb_data.py Byte-compiling python modules (optimized versions) ... mpb.pysolver.pympb_data.py make install-data-hook make[6]: Entering directory '/build/reproducible-path/meep-1.25.0/python' mv /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/mpb.py /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/__init__.py make[6]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[3]: Entering directory '/build/reproducible-path/meep-1.25.0' make[4]: Entering directory '/build/reproducible-path/meep-1.25.0' make[4]: Nothing to be done for 'install-exec-am'. /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf/pkgconfig' /usr/bin/install -c -m 644 meep.pc '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/arm-linux-gnueabihf/pkgconfig' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0' make[2]: Leaving directory '/build/reproducible-path/meep-1.25.0' rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.a rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.la rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.a rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.la rm -f -f debian/tmp/usr/lib/*/libpympb.la rm -f -f debian/tmp/usr/lib/*/libmeep.la rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/__pycache__/ rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/adjoint/__pycache__/ rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/mpb/__pycache__/ make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' dh_install dh_installdocs dh_installchangelogs dh_installman dh_lintian dh_perl dh_link dh_strip_nondeterminism dh_compress dh_fixperms dh_missing dh_dwz -a dh_strip -a dh_makeshlibs -a dh_shlibdeps -a dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-armhf.so.3 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-armhf.so.3.usr-is-merged dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-armhf.so.3 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-armhf.so.3.usr-is-merged dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.30.0.0 contains an unresolvable reference to symbol PySys_GetObject: it's probably a plugin dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all) dpkg-shlibdeps: warning: debian/meep/usr/bin/meep contains an unresolvable reference to symbol __aeabi_atexit@CXXABI_ARM_1.3.3: it's probably a plugin dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.30.0.0 contains an unresolvable reference to symbol PyDict_New: it's probably a plugin dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-armhf.so.3 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-armhf.so.3.usr-is-merged dpkg-shlibdeps: warning: 97 other similar warnings have been skipped (use -v to see them all) dpkg-shlibdeps: warning: symbol __aeabi_atexit@CXXABI_ARM_1.3.3 used by debian/libmeep30/usr/lib/arm-linux-gnueabihf/libmeep.so.30.0.0 found in none of the libraries dh_installdeb dh_gencontrol dh_md5sums dh_builddeb dpkg-deb: building package 'libmeep30-dbgsym' in '../libmeep30-dbgsym_1.25.0-4_armhf.deb'. dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.25.0-4_armhf.deb'. dpkg-deb: building package 'meep' in '../meep_1.25.0-4_armhf.deb'. dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.25.0-4_armhf.deb'. dpkg-deb: building package 'libmeep30' in '../libmeep30_1.25.0-4_armhf.deb'. dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.25.0-4_armhf.deb'. dpkg-deb: building package 'python3-meep' in '../python3-meep_1.25.0-4_armhf.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.25.0-4_armhf.buildinfo dpkg-genchanges --build=binary -O../meep_1.25.0-4_armhf.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env I: removing directory /srv/workspace/pbuilder/14105 and its subdirectories I: Current time: Sat Aug 10 15:55:19 -12 2024 I: pbuilder-time-stamp: 1723348519 Sun Aug 11 03:55:52 UTC 2024 I: 1st build successful. Starting 2nd build on remote node virt64a-armhf-rb.debian.net. Sun Aug 11 03:55:52 UTC 2024 I: Preparing to do remote build '2' on virt64a-armhf-rb.debian.net. Sun Aug 11 06:04:30 UTC 2024 I: Deleting $TMPDIR on virt64a-armhf-rb.debian.net. Sun Aug 11 06:04:32 UTC 2024 I: meep_1.25.0-4_armhf.changes: Format: 1.8 Date: Sun, 28 Jul 2024 10:49:17 +0200 Source: meep Binary: libmeep-dev libmeep30 libmeep30-dbgsym meep meep-dbgsym python3-meep python3-meep-dbgsym Architecture: armhf Version: 1.25.0-4 Distribution: unstable Urgency: medium Maintainer: Thorsten Alteholz Changed-By: Thorsten Alteholz Description: libmeep-dev - development library for using meep libmeep30 - library for using meep meep - software package for FDTD simulation python3-meep - software package for FDTD simulation with Python Closes: 1076280 Changes: meep (1.25.0-4) unstable; urgency=medium . * debian/control: add dependency python3-matplotlib (Closes: #1076280) * add debian/upstream/metadata Checksums-Sha1: e71abb07f8098f084c3d99314cca49b8d9968bc1 419876 libmeep-dev_1.25.0-4_armhf.deb 5d7332aadaf6ad5a13d55c6de64e53564df71214 3271632 libmeep30-dbgsym_1.25.0-4_armhf.deb 046e96a9c87da93700fce61c7c77f6b7f900f1e5 401000 libmeep30_1.25.0-4_armhf.deb 6df5d0d28b5005ff19b7947593e67dfe2ff4c8a8 1937524 meep-dbgsym_1.25.0-4_armhf.deb f0a33185bc3f63a198212abf09b0e698ace0b19e 11803 meep_1.25.0-4_armhf.buildinfo 2dbad0c49cf41fa91484d833a94455f4ebe0403f 287008 meep_1.25.0-4_armhf.deb 4a19163b859fa84c36ba53f67d6692cbf75e9bac 4937884 python3-meep-dbgsym_1.25.0-4_armhf.deb f55a82db76764c102b63057d4cc48d8310fd0a7c 775328 python3-meep_1.25.0-4_armhf.deb Checksums-Sha256: 53352837edb8ad70b09950077f7610c107d9a85a58e8d236b05f46b0691a12bf 419876 libmeep-dev_1.25.0-4_armhf.deb fbebf75167c0c8a52fcd52f968a905fa670b33b1019476f97143b3c5df0ff96a 3271632 libmeep30-dbgsym_1.25.0-4_armhf.deb c1d279cdbc57bcdb0edb82e7264fd961fd1efa4b54c8c1413b49ee071b059d5c 401000 libmeep30_1.25.0-4_armhf.deb cbe0a047ceed12bf535d8e6054bdbe6cf198e3a3621e6c1dde5e763fe20d2775 1937524 meep-dbgsym_1.25.0-4_armhf.deb 26ced208934d95f9278660abf6d4a1831cb14637d9b5d5f45f6d1aa591ad317b 11803 meep_1.25.0-4_armhf.buildinfo acef1d73e79abac93d063141d0474b2a1373c4249925fba55152dc583c3d10eb 287008 meep_1.25.0-4_armhf.deb 142258c1f7488f5c5d46915bf753d15553d20f7ec3df1ea50864dac944fdbf37 4937884 python3-meep-dbgsym_1.25.0-4_armhf.deb ae30cda6a2f6831b9e3ac0c112982f0bd3cbcb3c43314fae3976be68a4f544d4 775328 python3-meep_1.25.0-4_armhf.deb Files: 82bbe3f4271095ce5f85a44d48dbe523 419876 libdevel optional libmeep-dev_1.25.0-4_armhf.deb 7ef912869123d86faf09ac5fd558a808 3271632 debug optional libmeep30-dbgsym_1.25.0-4_armhf.deb cdbc906f482b4c8fd4576f9c1f777a0b 401000 libs optional libmeep30_1.25.0-4_armhf.deb df31f49edebd342db82052b1c6dd7ed4 1937524 debug optional meep-dbgsym_1.25.0-4_armhf.deb f5c675a75e3077dc02d70e5fa866ccd8 11803 science optional meep_1.25.0-4_armhf.buildinfo ad31e26e99e250af88399f3cc9c0eb29 287008 science optional meep_1.25.0-4_armhf.deb 4f35127667ed5fbea3eb0f5c961f179e 4937884 debug optional python3-meep-dbgsym_1.25.0-4_armhf.deb 00a4a07e0e211f9d1febacc4aec695f5 775328 python optional python3-meep_1.25.0-4_armhf.deb Sun Aug 11 06:04:34 UTC 2024 I: diffoscope 274 will be used to compare the two builds: Running as unit: rb-diffoscope-armhf_34-10612.service Warning: program compiled against libxml 212 using older 209 # Profiling output for: /usr/bin/diffoscope --timeout 7200 --html /srv/reproducible-results/rbuild-debian/r-b-build.cnu8uHGC/meep_1.25.0-4.diffoscope.html --text /srv/reproducible-results/rbuild-debian/r-b-build.cnu8uHGC/meep_1.25.0-4.diffoscope.txt --json /srv/reproducible-results/rbuild-debian/r-b-build.cnu8uHGC/meep_1.25.0-4.diffoscope.json --profile=- /srv/reproducible-results/rbuild-debian/r-b-build.cnu8uHGC/b1/meep_1.25.0-4_armhf.changes /srv/reproducible-results/rbuild-debian/r-b-build.cnu8uHGC/b2/meep_1.25.0-4_armhf.changes ## command (total time: 0.000s) 0.000s 1 call cmp (internal) ## has_same_content_as (total time: 0.000s) 0.000s 1 call abc.DotChangesFile ## main (total time: 0.503s) 0.503s 2 calls outputs 0.000s 1 call cleanup ## recognizes (total time: 0.147s) 0.147s 12 calls diffoscope.comparators.binary.FilesystemFile ## specialize (total time: 0.000s) 0.000s 1 call specialize Finished with result: success Main processes terminated with: code=exited/status=0 Service runtime: 831ms CPU time consumed: 831ms Sun Aug 11 06:04:36 UTC 2024 I: diffoscope 274 found no differences in the changes files, and a .buildinfo file also exists. Sun Aug 11 06:04:36 UTC 2024 I: meep from trixie built successfully and reproducibly on armhf. Sun Aug 11 06:04:37 UTC 2024 I: Submitting .buildinfo files to external archives: Sun Aug 11 06:04:37 UTC 2024 I: Submitting 16K b1/meep_1.25.0-4_armhf.buildinfo.asc Sun Aug 11 06:04:38 UTC 2024 I: Submitting 16K b2/meep_1.25.0-4_armhf.buildinfo.asc Sun Aug 11 06:04:39 UTC 2024 I: Done submitting .buildinfo files to http://buildinfo.debian.net/api/submit. Sun Aug 11 06:04:39 UTC 2024 I: Done submitting .buildinfo files. Sun Aug 11 06:04:39 UTC 2024 I: Removing signed meep_1.25.0-4_armhf.buildinfo.asc files: removed './b1/meep_1.25.0-4_armhf.buildinfo.asc' removed './b2/meep_1.25.0-4_armhf.buildinfo.asc'